2,4-diamino-6-[[(1S)-1-[5-chloro-4-oxo-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile

C24H29ClN10O2Si — CID 131744859

IUPAC2,4-diamino-6-[[(1S)-1-[5-chloro-4-oxo-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
SMILESC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cn(COCC[Si](C)(C)C)cn1
InChIInChI=1S/C24H29ClN10O2Si/c1-14(30-21-15(10-26)20(27)32-24(28)33-21)22-31-17-7-5-6-16(25)19(17)23(36)35(22)18-11-34(12-29-18)13-37-8-9-38(2,3)4/h5-7,11-12,14H,8-9,13H2,1-4H3,(H5,27,28,30,32,33)/t14-/m0/s1
InChIKeyZIAGNNQDVMTWSE-AWEZNQCLSA-N
MW553.10 g/mol
LogP3.55
Rot. Bonds9

About 2,4-diamino-6-[[(1S)-1-[5-chloro-4-oxo-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile

2,4-diamino-6-[[(1S)-1-[5-chloro-4-oxo-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile (PubChem CID 131744859) has the molecular formula C24H29ClN10O2Si and a molecular weight of 553.10 g/mol. Its IUPAC name is 2,4-diamino-6-[[(1S)-1-[5-chloro-4-oxo-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-[[(1S)-1-[5-chloro-4-oxo-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
PubChem CID131744859
Molecular FormulaC24H29ClN10O2Si
Molecular Weight553.10 g/mol
Exact Mass552.19
IUPAC Name2,4-diamino-6-[[(1S)-1-[5-chloro-4-oxo-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
SMILESC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cn(COCC[Si](C)(C)C)cn1
InChIInChI=1S/C24H29ClN10O2Si/c1-14(30-21-15(10-26)20(27)32-24(28)33-21)22-31-17-7-5-6-16(25)19(17)23(36)35(22)18-11-34(12-29-18)13-37-8-9-38(2,3)4/h5-7,11-12,14H,8-9,13H2,1-4H3,(H5,27,28,30,32,33)/t14-/m0/s1
InChIKeyZIAGNNQDVMTWSE-AWEZNQCLSA-N
XLogP3.55
TPSA175.58 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.10
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2,4-diamino-6-[[(1S)-1-[5-chloro-4-oxo-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile with MolForge

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Related Compounds

2-[(1S)-1-aminoethyl]-5-chloro-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-4-one
CID 154441350
2,4-diamino-6-[1-[5-chloro-4-oxo-3-(1H-pyrrol-2-yl)quinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118576116
2,4-diamino-6-[1-[5-chloro-3-(5-methoxy-2-methylphenyl)-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 90234952
2,4-diamino-6-[[(1S)-1-[5-chloro-3-[3-(difluoromethyl)phenyl]-4-oxoquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 90234935
2,4-diamino-6-[1-[5-chloro-3-[3-(difluoromethyl)-5-methoxyphenyl]-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 90235272
2,4-diamino-6-[1-[5-chloro-3-(3-cyanopropyl)-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118573804
2,4-diamino-6-[[(1R)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 118573963
2,4-diamino-6-[[1-[5-chloro-3-(3,5-difluorophenyl)-4-oxoquinazolin-2-yl]-2-methylbutyl]amino]pyrimidine-5-carbonitrile
CID 90236010
2,4-diamino-6-[1-[5-chloro-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118572303
2,4-diamino-6-[1-[5-chloro-4-oxo-3-[3-(pyrimidin-2-ylamino)propyl]quinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118573746
2,4-diamino-6-[[(1S)-1-[3-(6-amino-3-pyridinyl)-5-chloro-4-oxoquinazolin-2-yl]propyl]amino]pyrimidine-5-carbonitrile
CID 86763073
2,4-diamino-6-[[(1S)-1-(5-chloro-4-oxo-3-piperidin-4-ylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 118572471

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-[[(1S)-1-[5-chloro-4-oxo-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-[[(1S)-1-[5-chloro-4-oxo-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile (CID 131744859) is 2,4-diamino-6-[[(1S)-1-[5-chloro-4-oxo-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-[[(1S)-1-[5-chloro-4-oxo-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-[[(1S)-1-[5-chloro-4-oxo-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile is C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cn(COCC[Si](C)(C)C)cn1.
What is the InChIKey of 2,4-diamino-6-[[(1S)-1-[5-chloro-4-oxo-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile?
The InChIKey is ZIAGNNQDVMTWSE-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H29ClN10O2Si/c1-14(30-21-15(10-26)20(27)32-24(28)33-21)22-31-17-7-5-6-16(25)19(17)23(36)35(22)18-11-34(12-29-18)13-37-8-9-38(2,3)4/h5-7,11-12,14H,8-9,13H2,1-4H3,(H5,27,28,30,32,33)/t14-/m0/s1.
What are the key properties of 2,4-diamino-6-[[(1S)-1-[5-chloro-4-oxo-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile?
2,4-diamino-6-[[(1S)-1-[5-chloro-4-oxo-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile has a molecular weight of 553.10 g/mol, XLogP of 3.55, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-[[(1S)-1-[5-chloro-4-oxo-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 131744859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).