4-amino-6-[(2S,4S)-2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)-4-methoxypyrrolidin-1-yl]pyrimidine-5-carbonitrile

C24H20ClN7O2 — CID 78320362

IUPAC4-amino-6-[(2S,4S)-2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)-4-methoxypyrrolidin-1-yl]pyrimidine-5-carbonitrile
SMILESCO[C@H]1C[C@@H](c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)N(c2ncnc(N)c2C#N)C1
InChIInChI=1S/C24H20ClN7O2/c1-34-15-10-19(31(12-15)22-16(11-26)21(27)28-13-29-22)23-30-18-9-5-8-17(25)20(18)24(33)32(23)14-6-3-2-4-7-14/h2-9,13,15,19H,10,12H2,1H3,(H2,27,28,29)/t15-,19-/m0/s1
InChIKeyORCYHNDWPXEHBN-KXBFYZLASA-N
MW473.92 g/mol
LogP3.25
Rot. Bonds4

About 4-amino-6-[(2S,4S)-2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)-4-methoxypyrrolidin-1-yl]pyrimidine-5-carbonitrile

4-amino-6-[(2S,4S)-2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)-4-methoxypyrrolidin-1-yl]pyrimidine-5-carbonitrile (PubChem CID 78320362) has the molecular formula C24H20ClN7O2 and a molecular weight of 473.92 g/mol. Its IUPAC name is 4-amino-6-[(2S,4S)-2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)-4-methoxypyrrolidin-1-yl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[(2S,4S)-2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)-4-methoxypyrrolidin-1-yl]pyrimidine-5-carbonitrile
PubChem CID78320362
Molecular FormulaC24H20ClN7O2
Molecular Weight473.92 g/mol
Exact Mass473.14
IUPAC Name4-amino-6-[(2S,4S)-2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)-4-methoxypyrrolidin-1-yl]pyrimidine-5-carbonitrile
SMILESCO[C@H]1C[C@@H](c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)N(c2ncnc(N)c2C#N)C1
InChIInChI=1S/C24H20ClN7O2/c1-34-15-10-19(31(12-15)22-16(11-26)21(27)28-13-29-22)23-30-18-9-5-8-17(25)20(18)24(33)32(23)14-6-3-2-4-7-14/h2-9,13,15,19H,10,12H2,1H3,(H2,27,28,29)/t15-,19-/m0/s1
InChIKeyORCYHNDWPXEHBN-KXBFYZLASA-N
XLogP3.25
TPSA122.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.92
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-amino-6-[(2S,4S)-4-hydroxy-2-[4-oxo-3-phenyl-5-(trifluoromethyl)quinazolin-2-yl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile
CID 90356450
4-amino-6-[(2S)-2-[5-chloro-3-(6-methoxy-3-pyridinyl)-4-oxoquinazolin-2-yl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile
CID 78321311
1-[3-[2-[(2S,4S)-1-(6-amino-5-cyanopyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]-5-chloro-4-oxoquinazolin-3-yl]phenyl]-3-ethylurea
CID 118571243
2-amino-4-[(2S,4S)-4-hydroxy-2-[5-(6-methoxy-3-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]pyrrolidin-1-yl]-6-methylpyrimidine-5-carbonitrile
CID 121393679
tert-butyl 2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)azetidine-1-carboxylate
CID 134305806
4-amino-6-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 71274081
4-[2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)pyrrolidin-1-yl]-8-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-5-one
CID 134433511
4-amino-6-[[(1S)-1-[3-(3-aminophenyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 118571566
4-[(2S)-2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)pyrrolidin-1-yl]-8-[(4-methoxyphenyl)methyl]-6-methyl-7H-pyrimido[4,5-d]pyrimidin-5-one
CID 140862232
2,4-diamino-6-[(5-chloro-4-oxo-3-phenylquinazolin-2-yl)-ethylamino]pyrimidine-5-carbonitrile
CID 90236765
2-[2-[(2-amino-6-methoxypyrimidin-4-yl)amino]cyclopropyl]-5-chloro-3-phenylquinazolin-4-one
CID 123311444
2-amino-4-[(2S)-2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)pyrrolidin-1-yl]-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 137294823

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[(2S,4S)-2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)-4-methoxypyrrolidin-1-yl]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[(2S,4S)-2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)-4-methoxypyrrolidin-1-yl]pyrimidine-5-carbonitrile (CID 78320362) is 4-amino-6-[(2S,4S)-2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)-4-methoxypyrrolidin-1-yl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[(2S,4S)-2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)-4-methoxypyrrolidin-1-yl]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[(2S,4S)-2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)-4-methoxypyrrolidin-1-yl]pyrimidine-5-carbonitrile is CO[C@H]1C[C@@H](c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)N(c2ncnc(N)c2C#N)C1.
What is the InChIKey of 4-amino-6-[(2S,4S)-2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)-4-methoxypyrrolidin-1-yl]pyrimidine-5-carbonitrile?
The InChIKey is ORCYHNDWPXEHBN-KXBFYZLASA-N. The full InChI is InChI=1S/C24H20ClN7O2/c1-34-15-10-19(31(12-15)22-16(11-26)21(27)28-13-29-22)23-30-18-9-5-8-17(25)20(18)24(33)32(23)14-6-3-2-4-7-14/h2-9,13,15,19H,10,12H2,1H3,(H2,27,28,29)/t15-,19-/m0/s1.
What are the key properties of 4-amino-6-[(2S,4S)-2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)-4-methoxypyrrolidin-1-yl]pyrimidine-5-carbonitrile?
4-amino-6-[(2S,4S)-2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)-4-methoxypyrrolidin-1-yl]pyrimidine-5-carbonitrile has a molecular weight of 473.92 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[(2S,4S)-2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)-4-methoxypyrrolidin-1-yl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 78320362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).