2,4-diamino-6-(2-pyridin-3-yloxyphenyl)pyrimidine-5-carbonitrile

C16H12N6O — CID 169397318

IUPAC2,4-diamino-6-(2-pyridin-3-yloxyphenyl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1ccccc1Oc1cccnc1
InChIInChI=1S/C16H12N6O/c17-8-12-14(21-16(19)22-15(12)18)11-5-1-2-6-13(11)23-10-4-3-7-20-9-10/h1-7,9H,(H4,18,19,21,22)
InChIKeyUCCFTISYKBEVFJ-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.37
Rot. Bonds3

About 2,4-diamino-6-(2-pyridin-3-yloxyphenyl)pyrimidine-5-carbonitrile

2,4-diamino-6-(2-pyridin-3-yloxyphenyl)pyrimidine-5-carbonitrile (PubChem CID 169397318) has the molecular formula C16H12N6O and a molecular weight of 304.31 g/mol. Its IUPAC name is 2,4-diamino-6-(2-pyridin-3-yloxyphenyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-(2-pyridin-3-yloxyphenyl)pyrimidine-5-carbonitrile
PubChem CID169397318
Molecular FormulaC16H12N6O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC Name2,4-diamino-6-(2-pyridin-3-yloxyphenyl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1ccccc1Oc1cccnc1
InChIInChI=1S/C16H12N6O/c17-8-12-14(21-16(19)22-15(12)18)11-5-1-2-6-13(11)23-10-4-3-7-20-9-10/h1-7,9H,(H4,18,19,21,22)
InChIKeyUCCFTISYKBEVFJ-UHFFFAOYSA-N
XLogP2.37
TPSA123.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,4-diamino-6-(2-pyridin-3-yloxyphenyl)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-phenylmethoxyphenyl)pyrimidine-5-carbonitrile
CID 169396055
2,4-diamino-6-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169398772
2,4-diamino-6-[2-(cyclopropylmethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169396461
2,4-diamino-6-(2-chlorophenyl)pyrimidine-5-carbonitrile
CID 169398559
2,4-diamino-6-(2-hexoxyphenyl)pyrimidine-5-carbonitrile
CID 169397618
2,4-diamino-6-[2-(2,4-dinitrophenoxy)phenyl]pyrimidine-5-carbonitrile
CID 169398114
2,4-diamino-6-[2-[(3-methoxyphenyl)methoxy]phenyl]pyrimidine-5-carbonitrile
CID 169397344
2,4-diamino-6-(4-methoxynaphthalen-1-yl)pyrimidine-5-carbonitrile
CID 169396208
2,4-diamino-6-[2-[(3-methylphenyl)methoxy]phenyl]pyrimidine-5-carbonitrile
CID 169397341
2,4-diamino-6-[2-[(4-nitrophenyl)methoxy]phenyl]pyrimidine-5-carbonitrile
CID 169397457
2,4-diamino-6-[2-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-5-carbonitrile
CID 169397669
2-(2,6-diamino-5-cyanopyrimidin-4-yl)benzenesulfonic acid
CID 169396019

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-(2-pyridin-3-yloxyphenyl)pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-(2-pyridin-3-yloxyphenyl)pyrimidine-5-carbonitrile (CID 169397318) is 2,4-diamino-6-(2-pyridin-3-yloxyphenyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-(2-pyridin-3-yloxyphenyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-(2-pyridin-3-yloxyphenyl)pyrimidine-5-carbonitrile is N#Cc1c(N)nc(N)nc1-c1ccccc1Oc1cccnc1.
What is the InChIKey of 2,4-diamino-6-(2-pyridin-3-yloxyphenyl)pyrimidine-5-carbonitrile?
The InChIKey is UCCFTISYKBEVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O/c17-8-12-14(21-16(19)22-15(12)18)11-5-1-2-6-13(11)23-10-4-3-7-20-9-10/h1-7,9H,(H4,18,19,21,22).
What are the key properties of 2,4-diamino-6-(2-pyridin-3-yloxyphenyl)pyrimidine-5-carbonitrile?
2,4-diamino-6-(2-pyridin-3-yloxyphenyl)pyrimidine-5-carbonitrile has a molecular weight of 304.31 g/mol, XLogP of 2.37, 3 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-pyridin-3-yloxyphenyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 169397318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).