2-amino-4-(4-hydroxy-3-methylphenyl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

C20H18N6O — CID 135990808

IUPAC2-amino-4-(4-hydroxy-3-methylphenyl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESCc1cc(-c2c(C#N)c(N)nc3c2CN(c2ncccn2)CC3)ccc1O
InChIInChI=1S/C20H18N6O/c1-12-9-13(3-4-17(12)27)18-14(10-21)19(22)25-16-5-8-26(11-15(16)18)20-23-6-2-7-24-20/h2-4,6-7,9,27H,5,8,11H2,1H3,(H2,22,25)
InChIKeyNIIWTFGRAIZNPV-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.57
Rot. Bonds2

About 2-amino-4-(4-hydroxy-3-methylphenyl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

2-amino-4-(4-hydroxy-3-methylphenyl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (PubChem CID 135990808) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-amino-4-(4-hydroxy-3-methylphenyl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-hydroxy-3-methylphenyl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
PubChem CID135990808
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name2-amino-4-(4-hydroxy-3-methylphenyl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESCc1cc(-c2c(C#N)c(N)nc3c2CN(c2ncccn2)CC3)ccc1O
InChIInChI=1S/C20H18N6O/c1-12-9-13(3-4-17(12)27)18-14(10-21)19(22)25-16-5-8-26(11-15(16)18)20-23-6-2-7-24-20/h2-4,6-7,9,27H,5,8,11H2,1H3,(H2,22,25)
InChIKeyNIIWTFGRAIZNPV-UHFFFAOYSA-N
XLogP2.57
TPSA111.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-hydroxy-3-methylphenyl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-hydroxy-3-methylphenyl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (CID 135990808) is 2-amino-4-(4-hydroxy-3-methylphenyl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-hydroxy-3-methylphenyl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-hydroxy-3-methylphenyl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is Cc1cc(-c2c(C#N)c(N)nc3c2CN(c2ncccn2)CC3)ccc1O.
What is the InChIKey of 2-amino-4-(4-hydroxy-3-methylphenyl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is NIIWTFGRAIZNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-12-9-13(3-4-17(12)27)18-14(10-21)19(22)25-16-5-8-26(11-15(16)18)20-23-6-2-7-24-20/h2-4,6-7,9,27H,5,8,11H2,1H3,(H2,22,25).
What are the key properties of 2-amino-4-(4-hydroxy-3-methylphenyl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
2-amino-4-(4-hydroxy-3-methylphenyl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 358.41 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-hydroxy-3-methylphenyl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 135990808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).