4-N,4-N-diethyl-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine

C15H20N4O — CID 112863500

IUPAC4-N,4-N-diethyl-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCCN(CC)c1cc(Nc2cccc(OC)c2)ncn1
InChIInChI=1S/C15H20N4O/c1-4-19(5-2)15-10-14(16-11-17-15)18-12-7-6-8-13(9-12)20-3/h6-11H,4-5H2,1-3H3,(H,16,17,18)
InChIKeySHXBYIFIOBPDGH-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.08
Rot. Bonds6

About 4-N,4-N-diethyl-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine

4-N,4-N-diethyl-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112863500) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
PubChem CID112863500
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-N,4-N-diethyl-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCCN(CC)c1cc(Nc2cccc(OC)c2)ncn1
InChIInChI=1S/C15H20N4O/c1-4-19(5-2)15-10-14(16-11-17-15)18-12-7-6-8-13(9-12)20-3/h6-11H,4-5H2,1-3H3,(H,16,17,18)
InChIKeySHXBYIFIOBPDGH-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-N-(3,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863564
2-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]ethanol
CID 53259803
4-N-benzyl-4-N-ethyl-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112860466
3-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193145
6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355832
N-[6-(diethylamino)pyrimidin-4-yl]-3,5-dimethoxybenzamide
CID 65389157
5-N-[4-(diethylamino)phenyl]-3-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967283
6-N-(3,5-dimethoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122282022
1-[3-[[6-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112860525
6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863554
6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112865025
6-N-(3-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863489

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine (CID 112863500) is 4-N,4-N-diethyl-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine is CCN(CC)c1cc(Nc2cccc(OC)c2)ncn1.
What is the InChIKey of 4-N,4-N-diethyl-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is SHXBYIFIOBPDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-19(5-2)15-10-14(16-11-17-15)18-12-7-6-8-13(9-12)20-3/h6-11H,4-5H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N,4-N-diethyl-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine?
4-N,4-N-diethyl-6-N-(3-methoxyphenyl)pyrimidine-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,4-N-diethyl-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112863500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).