4-amino-6-[1-[5-(1-methyl-6-oxo-3-pyridinyl)-4-oxo-3-propan-2-ylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile

C24H24N8O2 — CID 118493721

IUPAC4-amino-6-[1-[5-(1-methyl-6-oxo-3-pyridinyl)-4-oxo-3-propan-2-ylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
SMILESCC(Nc1ncnc(N)c1C#N)c1nc2cccc(-c3ccc(=O)n(C)c3)c2c(=O)n1C(C)C
InChIInChI=1S/C24H24N8O2/c1-13(2)32-23(14(3)29-22-17(10-25)21(26)27-12-28-22)30-18-7-5-6-16(20(18)24(32)34)15-8-9-19(33)31(4)11-15/h5-9,11-14H,1-4H3,(H3,26,27,28,29)
InChIKeyJHUMUXAHXHWMCT-UHFFFAOYSA-N
MW456.51 g/mol
LogP2.76
Rot. Bonds5

About 4-amino-6-[1-[5-(1-methyl-6-oxo-3-pyridinyl)-4-oxo-3-propan-2-ylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile

4-amino-6-[1-[5-(1-methyl-6-oxo-3-pyridinyl)-4-oxo-3-propan-2-ylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile (PubChem CID 118493721) has the molecular formula C24H24N8O2 and a molecular weight of 456.51 g/mol. Its IUPAC name is 4-amino-6-[1-[5-(1-methyl-6-oxo-3-pyridinyl)-4-oxo-3-propan-2-ylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[1-[5-(1-methyl-6-oxo-3-pyridinyl)-4-oxo-3-propan-2-ylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
PubChem CID118493721
Molecular FormulaC24H24N8O2
Molecular Weight456.51 g/mol
Exact Mass456.20
IUPAC Name4-amino-6-[1-[5-(1-methyl-6-oxo-3-pyridinyl)-4-oxo-3-propan-2-ylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
SMILESCC(Nc1ncnc(N)c1C#N)c1nc2cccc(-c3ccc(=O)n(C)c3)c2c(=O)n1C(C)C
InChIInChI=1S/C24H24N8O2/c1-13(2)32-23(14(3)29-22-17(10-25)21(26)27-12-28-22)30-18-7-5-6-16(20(18)24(32)34)15-8-9-19(33)31(4)11-15/h5-9,11-14H,1-4H3,(H3,26,27,28,29)
InChIKeyJHUMUXAHXHWMCT-UHFFFAOYSA-N
XLogP2.76
TPSA144.51 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Launch Full Analysis

Related Compounds

4-amino-6-[[(1S)-1-[3-(4-aminobutan-2-yl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 118573675
4-amino-6-[1-[3-(3-aminopropyl)-5-methyl-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118573769
4-amino-6-[[(1S)-1-[3-(3-amino-2-methylpropyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 118573628
4-amino-6-[[(1S)-1-[3-(3-aminophenyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 118571566
4-amino-6-[1-[5-chloro-3-(1-methylpiperidin-4-yl)-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118572588
3-[2-[(1S)-1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-5-chloro-4-oxoquinazolin-3-yl]butyl benzoate
CID 118574296
4-amino-6-[[(1S)-1-[5-chloro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 118575555
4-amino-6-[[(1S)-1-(5-chloro-4-oxo-3-piperidin-4-ylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 118572597
8-(1-methyl-6-oxo-3-pyridinyl)-2-phenyl-3-[(1S)-1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]isoquinolin-1-one
CID 71232799
4-amino-6-[[(1S)-1-[5-chloro-4-oxo-3-[3-(trifluoromethyl)piperazin-1-yl]quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 118572502
2-[(1S)-1-[(6-amino-5-ethynylpyrimidin-4-yl)amino]ethyl]-5-chloro-3-cyclopropylquinazolin-4-one
CID 118522306
1-[3-[2-[1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-5-chloro-4-oxoquinazolin-3-yl]phenyl]-3-tert-butylurea
CID 118571382

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[1-[5-(1-methyl-6-oxo-3-pyridinyl)-4-oxo-3-propan-2-ylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[1-[5-(1-methyl-6-oxo-3-pyridinyl)-4-oxo-3-propan-2-ylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile (CID 118493721) is 4-amino-6-[1-[5-(1-methyl-6-oxo-3-pyridinyl)-4-oxo-3-propan-2-ylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[1-[5-(1-methyl-6-oxo-3-pyridinyl)-4-oxo-3-propan-2-ylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[1-[5-(1-methyl-6-oxo-3-pyridinyl)-4-oxo-3-propan-2-ylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile is CC(Nc1ncnc(N)c1C#N)c1nc2cccc(-c3ccc(=O)n(C)c3)c2c(=O)n1C(C)C.
What is the InChIKey of 4-amino-6-[1-[5-(1-methyl-6-oxo-3-pyridinyl)-4-oxo-3-propan-2-ylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile?
The InChIKey is JHUMUXAHXHWMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O2/c1-13(2)32-23(14(3)29-22-17(10-25)21(26)27-12-28-22)30-18-7-5-6-16(20(18)24(32)34)15-8-9-19(33)31(4)11-15/h5-9,11-14H,1-4H3,(H3,26,27,28,29).
What are the key properties of 4-amino-6-[1-[5-(1-methyl-6-oxo-3-pyridinyl)-4-oxo-3-propan-2-ylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile?
4-amino-6-[1-[5-(1-methyl-6-oxo-3-pyridinyl)-4-oxo-3-propan-2-ylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile has a molecular weight of 456.51 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[1-[5-(1-methyl-6-oxo-3-pyridinyl)-4-oxo-3-propan-2-ylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 118493721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).