4-N-butan-2-yl-6-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine

C17H24N4O2 — CID 112868353

IUPAC4-N-butan-2-yl-6-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCCC(C)Nc1cc(Nc2ccc(OC)c(OC)c2)nc(C)n1
InChIInChI=1S/C17H24N4O2/c1-6-11(2)18-16-10-17(20-12(3)19-16)21-13-7-8-14(22-4)15(9-13)23-5/h7-11H,6H2,1-5H3,(H2,18,19,20,21)
InChIKeyCXCAYWLQBJNAOG-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.76
Rot. Bonds7

About 4-N-butan-2-yl-6-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine

4-N-butan-2-yl-6-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112868353) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-N-butan-2-yl-6-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-6-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112868353
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name4-N-butan-2-yl-6-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCCC(C)Nc1cc(Nc2ccc(OC)c(OC)c2)nc(C)n1
InChIInChI=1S/C17H24N4O2/c1-6-11(2)18-16-10-17(20-12(3)19-16)21-13-7-8-14(22-4)15(9-13)23-5/h7-11H,6H2,1-5H3,(H2,18,19,20,21)
InChIKeyCXCAYWLQBJNAOG-UHFFFAOYSA-N
XLogP3.76
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3,4-dimethoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80748315
N-butan-2-yl-6-(3,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109362633
6-N-(3-bromophenyl)-4-N-butan-2-yl-2-methylpyrimidine-4,6-diamine
CID 112868378
4-N-butan-2-yl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112868395
6-N-(3,4-dimethoxyphenyl)-2-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112877687
6-(3,4-dimethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360708
3-[[6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193366
6-N-(1,3-benzodioxol-5-yl)-4-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878661
1-[3-[[6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112868357
4-N-butan-2-yl-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112868258
4-N-(3,4-dimethoxyphenyl)-2-methyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871871
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,6-dimethylpyrimidin-4-amine
CID 133292932

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-6-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butan-2-yl-6-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine (CID 112868353) is 4-N-butan-2-yl-6-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butan-2-yl-6-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butan-2-yl-6-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine is CCC(C)Nc1cc(Nc2ccc(OC)c(OC)c2)nc(C)n1.
What is the InChIKey of 4-N-butan-2-yl-6-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is CXCAYWLQBJNAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-6-11(2)18-16-10-17(20-12(3)19-16)21-13-7-8-14(22-4)15(9-13)23-5/h7-11H,6H2,1-5H3,(H2,18,19,20,21).
What are the key properties of 4-N-butan-2-yl-6-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine?
4-N-butan-2-yl-6-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 316.41 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-6-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112868353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).