2,4-diamino-6-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]pyrimidine-5-carbonitrile

C19H16ClN5O2 — CID 169397352

IUPAC2,4-diamino-6-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]pyrimidine-5-carbonitrile
SMILESCOc1cccc(-c2nc(N)nc(N)c2C#N)c1OCc1cccc(Cl)c1
InChIInChI=1S/C19H16ClN5O2/c1-26-15-7-3-6-13(16-14(9-21)18(22)25-19(23)24-16)17(15)27-10-11-4-2-5-12(20)8-11/h2-8H,10H2,1H3,(H4,22,23,24,25)
InChIKeyZSIBJYOBSHAWBL-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.42
Rot. Bonds5

About 2,4-diamino-6-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]pyrimidine-5-carbonitrile

2,4-diamino-6-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]pyrimidine-5-carbonitrile (PubChem CID 169397352) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is 2,4-diamino-6-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]pyrimidine-5-carbonitrile
PubChem CID169397352
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC Name2,4-diamino-6-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]pyrimidine-5-carbonitrile
SMILESCOc1cccc(-c2nc(N)nc(N)c2C#N)c1OCc1cccc(Cl)c1
InChIInChI=1S/C19H16ClN5O2/c1-26-15-7-3-6-13(16-14(9-21)18(22)25-19(23)24-16)17(15)27-10-11-4-2-5-12(20)8-11/h2-8H,10H2,1H3,(H4,22,23,24,25)
InChIKeyZSIBJYOBSHAWBL-UHFFFAOYSA-N
XLogP3.42
TPSA120.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,4-diamino-6-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]pyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-diamino-6-[2-[(3-methoxyphenyl)methoxy]phenyl]pyrimidine-5-carbonitrile
CID 169397344
2,4-diamino-6-[2-[(3-methylphenyl)methoxy]phenyl]pyrimidine-5-carbonitrile
CID 169397341
2,4-diamino-6-(2-phenylmethoxyphenyl)pyrimidine-5-carbonitrile
CID 169396055
2,4-diamino-6-(4-methoxynaphthalen-1-yl)pyrimidine-5-carbonitrile
CID 169396208
2-[(3-chlorophenyl)methoxy]-6-methoxybenzonitrile
CID 53423180
2,4-diamino-6-[3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl]pyrimidine-5-carbonitrile
CID 169397049
2,4-diamino-6-[5-chloro-2-[(3,5-difluorophenyl)methoxy]phenyl]pyrimidine-5-carbonitrile
CID 169396721
4-(3-methoxy-2-phenylmethoxyphenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 168589353
2-amino-6-(3-chlorophenyl)-4-(2-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322467
2,4-diamino-6-[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]pyrimidine-5-carbonitrile
CID 169397802
2-amino-4-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394013
2,4-diamino-6-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]pyrimidine-5-carbonitrile
CID 169398027

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]pyrimidine-5-carbonitrile (CID 169397352) is 2,4-diamino-6-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]pyrimidine-5-carbonitrile is COc1cccc(-c2nc(N)nc(N)c2C#N)c1OCc1cccc(Cl)c1.
What is the InChIKey of 2,4-diamino-6-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]pyrimidine-5-carbonitrile?
The InChIKey is ZSIBJYOBSHAWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2/c1-26-15-7-3-6-13(16-14(9-21)18(22)25-19(23)24-16)17(15)27-10-11-4-2-5-12(20)8-11/h2-8H,10H2,1H3,(H4,22,23,24,25).
What are the key properties of 2,4-diamino-6-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]pyrimidine-5-carbonitrile?
2,4-diamino-6-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]pyrimidine-5-carbonitrile has a molecular weight of 381.82 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 169397352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).