2-N-(2,5-dimethoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

C18H19N5O2 — CID 112893230

IUPAC2-N-(2,5-dimethoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(OC)c(Nc2nccc(NCc3ccccn3)n2)c1
InChIInChI=1S/C18H19N5O2/c1-24-14-6-7-16(25-2)15(11-14)22-18-20-10-8-17(23-18)21-12-13-5-3-4-9-19-13/h3-11H,12H2,1-2H3,(H2,20,21,22,23)
InChIKeyLTUVNBDOALKBKH-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.24
Rot. Bonds7

About 2-N-(2,5-dimethoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

2-N-(2,5-dimethoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112893230) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-N-(2,5-dimethoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,5-dimethoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112893230
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-N-(2,5-dimethoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(OC)c(Nc2nccc(NCc3ccccn3)n2)c1
InChIInChI=1S/C18H19N5O2/c1-24-14-6-7-16(25-2)15(11-14)22-18-20-10-8-17(23-18)21-12-13-5-3-4-9-19-13/h3-11H,12H2,1-2H3,(H2,20,21,22,23)
InChIKeyLTUVNBDOALKBKH-UHFFFAOYSA-N
XLogP3.24
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881863
2-N-(2,5-dimethoxyphenyl)-4-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891459
4-N-[(4-methoxyphenyl)methyl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112892381
2-N-(2,5-dimethoxyphenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887682
2-N-[(2-methoxyphenyl)methyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112892258
4-N-benzyl-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112889503
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893149
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112904397
4-N-cyclopropyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112882303
4-N-cyclopentyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112884245
2-N-(2,5-dimethoxyphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112903194
2-N-(2,4-dimethoxyphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890347

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dimethoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,5-dimethoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 112893230) is 2-N-(2,5-dimethoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,5-dimethoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,5-dimethoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is COc1ccc(OC)c(Nc2nccc(NCc3ccccn3)n2)c1.
What is the InChIKey of 2-N-(2,5-dimethoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is LTUVNBDOALKBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-24-14-6-7-16(25-2)15(11-14)22-18-20-10-8-17(23-18)21-12-13-5-3-4-9-19-13/h3-11H,12H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-N-(2,5-dimethoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
2-N-(2,5-dimethoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 337.38 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dimethoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112893230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).