2,4-diamino-6-[[(1S)-1-[5-bromo-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propyl]amino]pyrimidine-5-carbonitrile

C19H17BrN10O — CID 118575874

IUPAC2,4-diamino-6-[[(1S)-1-[5-bromo-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propyl]amino]pyrimidine-5-carbonitrile
SMILESCC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Br)c2c(=O)n1-c1ccn[nH]1
InChIInChI=1S/C19H17BrN10O/c1-2-11(25-16-9(8-21)15(22)27-19(23)28-16)17-26-12-5-3-4-10(20)14(12)18(31)30(17)13-6-7-24-29-13/h3-7,11H,2H2,1H3,(H,24,29)(H5,22,23,25,27,28)/t11-/m0/s1
InChIKeyNZSQVSHSUNQUBM-NSHDSACASA-N
MW481.32 g/mol
LogP2.26
Rot. Bonds5

About 2,4-diamino-6-[[(1S)-1-[5-bromo-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propyl]amino]pyrimidine-5-carbonitrile

2,4-diamino-6-[[(1S)-1-[5-bromo-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propyl]amino]pyrimidine-5-carbonitrile (PubChem CID 118575874) has the molecular formula C19H17BrN10O and a molecular weight of 481.32 g/mol. Its IUPAC name is 2,4-diamino-6-[[(1S)-1-[5-bromo-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propyl]amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-[[(1S)-1-[5-bromo-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propyl]amino]pyrimidine-5-carbonitrile
PubChem CID118575874
Molecular FormulaC19H17BrN10O
Molecular Weight481.32 g/mol
Exact Mass480.08
IUPAC Name2,4-diamino-6-[[(1S)-1-[5-bromo-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propyl]amino]pyrimidine-5-carbonitrile
SMILESCC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Br)c2c(=O)n1-c1ccn[nH]1
InChIInChI=1S/C19H17BrN10O/c1-2-11(25-16-9(8-21)15(22)27-19(23)28-16)17-26-12-5-3-4-10(20)14(12)18(31)30(17)13-6-7-24-29-13/h3-7,11H,2H2,1H3,(H,24,29)(H5,22,23,25,27,28)/t11-/m0/s1
InChIKeyNZSQVSHSUNQUBM-NSHDSACASA-N
XLogP2.26
TPSA177.21 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.32
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2,4-diamino-6-[[(1S)-1-[5-bromo-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propyl]amino]pyrimidine-5-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-[1-[(2,6-diamino-5-cyanopyrimidin-4-yl)amino]propyl]-4-oxo-3-(1H-pyrazol-5-yl)quinazoline-8-carbonitrile
CID 118576316
2,4-diamino-6-[[(1S)-1-[8-chloro-6-fluoro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propyl]amino]pyrimidine-5-carbonitrile
CID 118575899
2-[(1S)-1-aminopropyl]-5-bromo-3-(1H-pyrazol-5-yl)quinazolin-4-one
CID 118576029
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-amino-4-(difluoromethyl)-6-[1-[5-(difluoromethyl)-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118575768
2,4-diamino-6-[1-[3-[3-(difluoromethyl)-5-fluorophenyl]-5-fluoro-4-oxoquinazolin-2-yl]propylamino]pyrimidine-5-carbonitrile
CID 90234961
2,4-diamino-6-[[(1S)-1-(5-chloro-4-oxo-3-piperazin-1-ylquinazolin-2-yl)propyl]amino]pyrimidine-5-carbonitrile
CID 118572648
2,4-diamino-6-[1-[5-chloro-3-[3-(difluoromethyl)-5-fluorophenyl]-4-oxoquinazolin-2-yl]propylamino]pyrimidine-5-carbonitrile
CID 90235408
2,4-diamino-6-[1-[6-fluoro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118575605
2-[1-[(2,6-diamino-5-chloropyrimidin-4-yl)amino]propyl]-6-fluoro-3-(1H-pyrazol-5-yl)quinazolin-4-one
CID 118575781
2,4-diamino-6-[1-[3-(4-benzylpiperazin-1-yl)-5-chloro-4-oxoquinazolin-2-yl]propylamino]pyrimidine-5-carbonitrile
CID 118572572
2,4-diamino-6-[[(1S)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]propyl]amino]pyrimidine-5-carbonitrile
CID 118573718

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-[[(1S)-1-[5-bromo-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propyl]amino]pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-[[(1S)-1-[5-bromo-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propyl]amino]pyrimidine-5-carbonitrile (CID 118575874) is 2,4-diamino-6-[[(1S)-1-[5-bromo-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propyl]amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-[[(1S)-1-[5-bromo-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propyl]amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-[[(1S)-1-[5-bromo-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propyl]amino]pyrimidine-5-carbonitrile is CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Br)c2c(=O)n1-c1ccn[nH]1.
What is the InChIKey of 2,4-diamino-6-[[(1S)-1-[5-bromo-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propyl]amino]pyrimidine-5-carbonitrile?
The InChIKey is NZSQVSHSUNQUBM-NSHDSACASA-N. The full InChI is InChI=1S/C19H17BrN10O/c1-2-11(25-16-9(8-21)15(22)27-19(23)28-16)17-26-12-5-3-4-10(20)14(12)18(31)30(17)13-6-7-24-29-13/h3-7,11H,2H2,1H3,(H,24,29)(H5,22,23,25,27,28)/t11-/m0/s1.
What are the key properties of 2,4-diamino-6-[[(1S)-1-[5-bromo-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propyl]amino]pyrimidine-5-carbonitrile?
2,4-diamino-6-[[(1S)-1-[5-bromo-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propyl]amino]pyrimidine-5-carbonitrile has a molecular weight of 481.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-[[(1S)-1-[5-bromo-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propyl]amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 118575874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).