4-N,2-diethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine

C15H20N4 — CID 80934889

IUPAC4-N,2-diethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(N(CC)c2ccc(C)cc2)n1
InChIInChI=1S/C15H20N4/c1-4-14-17-13(16)10-15(18-14)19(5-2)12-8-6-11(3)7-9-12/h6-10H,4-5H2,1-3H3,(H2,16,17,18)
InChIKeyKKWTUZGSZJPREU-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.09
Rot. Bonds4

About 4-N,2-diethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine

4-N,2-diethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 80934889) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-N,2-diethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,2-diethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
PubChem CID80934889
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-N,2-diethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(N(CC)c2ccc(C)cc2)n1
InChIInChI=1S/C15H20N4/c1-4-14-17-13(16)10-15(18-14)19(5-2)12-8-6-11(3)7-9-12/h6-10H,4-5H2,1-3H3,(H2,16,17,18)
InChIKeyKKWTUZGSZJPREU-UHFFFAOYSA-N
XLogP3.09
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-ethyl-4-N-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771651
4-N-ethyl-4-N-(4-fluorophenyl)-2-propylpyrimidine-4,6-diamine
CID 80954692
4-N,2-diethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80933730
N,2-diethyl-6-hydrazinyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 80937279
4-N-cyclopropyl-2-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80933693
2-[(6-amino-2-ethylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 80933068
4-N,2-diethyl-4-N-(4-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80935117
4-N-methyl-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80945206
4-N-ethyl-4-N-(4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80958034
2-tert-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80961089
6-[4-(dimethylamino)phenyl]-2-ethylpyrimidin-4-amine
CID 80936309
2-cyclopropyl-4-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 80958111

Frequently Asked Questions

What is the IUPAC name of 4-N,2-diethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,2-diethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine (CID 80934889) is 4-N,2-diethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,2-diethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,2-diethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine is CCc1nc(N)cc(N(CC)c2ccc(C)cc2)n1.
What is the InChIKey of 4-N,2-diethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is KKWTUZGSZJPREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-4-14-17-13(16)10-15(18-14)19(5-2)12-8-6-11(3)7-9-12/h6-10H,4-5H2,1-3H3,(H2,16,17,18).
What are the key properties of 4-N,2-diethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine?
4-N,2-diethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,2-diethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80934889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).