4-amino-6-[1-[3-(3-aminopropyl)-5-methyl-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile

C19H22N8O — CID 118573769

IUPAC4-amino-6-[1-[3-(3-aminopropyl)-5-methyl-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
SMILESCc1cccc2nc(C(C)Nc3ncnc(N)c3C#N)n(CCCN)c(=O)c12
InChIInChI=1S/C19H22N8O/c1-11-5-3-6-14-15(11)19(28)27(8-4-7-20)18(26-14)12(2)25-17-13(9-21)16(22)23-10-24-17/h3,5-6,10,12H,4,7-8,20H2,1-2H3,(H3,22,23,24,25)
InChIKeyYAQASHRFWHNSND-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.47
Rot. Bonds6

About 4-amino-6-[1-[3-(3-aminopropyl)-5-methyl-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile

4-amino-6-[1-[3-(3-aminopropyl)-5-methyl-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile (PubChem CID 118573769) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-amino-6-[1-[3-(3-aminopropyl)-5-methyl-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[1-[3-(3-aminopropyl)-5-methyl-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
PubChem CID118573769
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name4-amino-6-[1-[3-(3-aminopropyl)-5-methyl-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
SMILESCc1cccc2nc(C(C)Nc3ncnc(N)c3C#N)n(CCCN)c(=O)c12
InChIInChI=1S/C19H22N8O/c1-11-5-3-6-14-15(11)19(28)27(8-4-7-20)18(26-14)12(2)25-17-13(9-21)16(22)23-10-24-17/h3,5-6,10,12H,4,7-8,20H2,1-2H3,(H3,22,23,24,25)
InChIKeyYAQASHRFWHNSND-UHFFFAOYSA-N
XLogP1.47
TPSA148.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2,4-diamino-6-[[(1R)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 118573963
2-[1-[(6-amino-5-chloropyrimidin-4-yl)amino]ethyl]-3-(3-aminopropyl)-5-chloroquinazolin-4-one
CID 118573832
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-(4-aminobutan-2-yl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 118573675
2,4-diamino-6-[1-[5-chloro-3-(3-cyanopropyl)-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118573804
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-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]propyl]amino]pyrimidine-5-carbonitrile
CID 118573718
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-(1-methyl-6-oxo-3-pyridinyl)-4-oxo-3-propan-2-ylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118493721
4-amino-6-[1-[5-chloro-3-(1-methylpiperidin-4-yl)-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118572588
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[1-[3-(3-aminopropyl)-5-methyl-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[1-[3-(3-aminopropyl)-5-methyl-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile (CID 118573769) is 4-amino-6-[1-[3-(3-aminopropyl)-5-methyl-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[1-[3-(3-aminopropyl)-5-methyl-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[1-[3-(3-aminopropyl)-5-methyl-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile is Cc1cccc2nc(C(C)Nc3ncnc(N)c3C#N)n(CCCN)c(=O)c12.
What is the InChIKey of 4-amino-6-[1-[3-(3-aminopropyl)-5-methyl-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile?
The InChIKey is YAQASHRFWHNSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c1-11-5-3-6-14-15(11)19(28)27(8-4-7-20)18(26-14)12(2)25-17-13(9-21)16(22)23-10-24-17/h3,5-6,10,12H,4,7-8,20H2,1-2H3,(H3,22,23,24,25).
What are the key properties of 4-amino-6-[1-[3-(3-aminopropyl)-5-methyl-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile?
4-amino-6-[1-[3-(3-aminopropyl)-5-methyl-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile has a molecular weight of 378.44 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[1-[3-(3-aminopropyl)-5-methyl-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 118573769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).