2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine

C17H18N4O — CID 112915354

IUPAC2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2cc(C)nc(NCc3ccco3)n2)cc1
InChIInChI=1S/C17H18N4O/c1-12-5-7-14(8-6-12)20-16-10-13(2)19-17(21-16)18-11-15-4-3-9-22-15/h3-10H,11H2,1-2H3,(H2,18,19,20,21)
InChIKeyIROJTUVIKUGOEC-UHFFFAOYSA-N
MW294.36 g/mol
LogP4.04
Rot. Bonds5

About 2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine

2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112915354) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112915354
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2cc(C)nc(NCc3ccco3)n2)cc1
InChIInChI=1S/C17H18N4O/c1-12-5-7-14(8-6-12)20-16-10-13(2)19-17(21-16)18-11-15-4-3-9-22-15/h3-10H,11H2,1-2H3,(H2,18,19,20,21)
InChIKeyIROJTUVIKUGOEC-UHFFFAOYSA-N
XLogP4.04
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112915397
4-N-(furan-2-ylmethyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915116
4-N-(3,4-dimethoxyphenyl)-2-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915400
3-N-(furan-2-ylmethyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947412
3-[[2-(furan-2-ylmethylamino)-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194424
4-N-(5-chloro-2-methylphenyl)-2-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915381
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112915129
6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319
6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80762323
2-N-(2,6-difluorophenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915282
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112915130
6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112871420

Frequently Asked Questions

What is the IUPAC name of 2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine (CID 112915354) is 2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine is Cc1ccc(Nc2cc(C)nc(NCc3ccco3)n2)cc1.
What is the InChIKey of 2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is IROJTUVIKUGOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12-5-7-14(8-6-12)20-16-10-13(2)19-17(21-16)18-11-15-4-3-9-22-15/h3-10H,11H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 294.36 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112915354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).