4-N-(3-methoxyphenyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine

C15H20N4O — CID 80816541

IUPAC4-N-(3-methoxyphenyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)c2cccc(OC)c2)ncn1
InChIInChI=1S/C15H20N4O/c1-4-8-16-14-10-15(18-11-17-14)19(2)12-6-5-7-13(9-12)20-3/h5-7,9-11H,4,8H2,1-3H3,(H,16,17,18)
InChIKeyBVGHGXCHBZIXJQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.08
Rot. Bonds6

About 4-N-(3-methoxyphenyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine

4-N-(3-methoxyphenyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80816541) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-N-(3-methoxyphenyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methoxyphenyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80816541
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-N-(3-methoxyphenyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)c2cccc(OC)c2)ncn1
InChIInChI=1S/C15H20N4O/c1-4-8-16-14-10-15(18-11-17-14)19(2)12-6-5-7-13(9-12)20-3/h5-7,9-11H,4,8H2,1-3H3,(H,16,17,18)
InChIKeyBVGHGXCHBZIXJQ-UHFFFAOYSA-N
XLogP3.08
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 80908091
6-(3-methoxy-N-methylanilino)pyrimidine-4-carbonitrile
CID 115142866
6-N-butyl-4-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112855106
4-N-benzyl-4-N-ethyl-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112860466
6-N,5-diethyl-4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine
CID 80795409
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80775376
4-N,4-N-diethyl-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
CID 112863500
6-[3-(dimethylamino)phenoxy]-N-propylpyridin-2-amine
CID 80871143
6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112861309
6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112855248
4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80799819
4-N-ethyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80817660

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxyphenyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-methoxyphenyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80816541) is 4-N-(3-methoxyphenyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-methoxyphenyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-methoxyphenyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(N(C)c2cccc(OC)c2)ncn1.
What is the InChIKey of 4-N-(3-methoxyphenyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is BVGHGXCHBZIXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-8-16-14-10-15(18-11-17-14)19(2)12-6-5-7-13(9-12)20-3/h5-7,9-11H,4,8H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-(3-methoxyphenyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(3-methoxyphenyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 272.35 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxyphenyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80816541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).