4-N-(2-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

C18H19N5O — CID 112873455

IUPAC4-N-(2-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCOc1ccccc1Nc1cc(NCc2cccnc2)nc(C)n1
InChIInChI=1S/C18H19N5O/c1-13-21-17(20-12-14-6-5-9-19-11-14)10-18(22-13)23-15-7-3-4-8-16(15)24-2/h3-11H,12H2,1-2H3,(H2,20,21,22,23)
InChIKeyZZLLOGUONUAPPQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.54
Rot. Bonds6

About 4-N-(2-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

4-N-(2-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112873455) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-N-(2-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112873455
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name4-N-(2-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCOc1ccccc1Nc1cc(NCc2cccnc2)nc(C)n1
InChIInChI=1S/C18H19N5O/c1-13-21-17(20-12-14-6-5-9-19-11-14)10-18(22-13)23-15-7-3-4-8-16(15)24-2/h3-11H,12H2,1-2H3,(H2,20,21,22,23)
InChIKeyZZLLOGUONUAPPQ-UHFFFAOYSA-N
XLogP3.54
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873428
2-methyl-6-N-(pyridin-3-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112873466
6-N-benzyl-4-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112871595
4-N-(2-ethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860806
6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112874979
4-N-(2-ethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872848
4-N-[(2-methoxyphenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860055
6-ethyl-2-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 65418872
2-methyl-6-N-pentyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873406
6-(2-ethoxyanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371157
6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112858817
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112874991

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine (CID 112873455) is 4-N-(2-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine is COc1ccccc1Nc1cc(NCc2cccnc2)nc(C)n1.
What is the InChIKey of 4-N-(2-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is ZZLLOGUONUAPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-21-17(20-12-14-6-5-9-19-11-14)10-18(22-13)23-15-7-3-4-8-16(15)24-2/h3-11H,12H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
4-N-(2-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 321.38 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112873455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).