2-ethyl-5-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine

C16H22N4 — CID 80976892

IUPAC2-ethyl-5-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C16H22N4/c1-5-14-19-15(17)11(4)16(20-14)18-13-8-6-12(7-9-13)10(2)3/h6-10H,5H2,1-4H3,(H3,17,18,19,20)
InChIKeyCYASFHSFCSPDAT-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.80
Rot. Bonds4

About 2-ethyl-5-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine

2-ethyl-5-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine (PubChem CID 80976892) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-ethyl-5-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-5-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
PubChem CID80976892
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-ethyl-5-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C16H22N4/c1-5-14-19-15(17)11(4)16(20-14)18-13-8-6-12(7-9-13)10(2)3/h6-10H,5H2,1-4H3,(H3,17,18,19,20)
InChIKeyCYASFHSFCSPDAT-UHFFFAOYSA-N
XLogP3.80
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-tert-butylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976908
4-N-(3-chloro-4-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976447
4-N-[3-(dimethylamino)-4-methylphenyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 115379692
2-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80933746
2-ethyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80976619
4-N-(4-bromo-2-chlorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80994019
6-chloro-2-ethyl-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 80970680
5-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80768345
5-methyl-2-propan-2-yl-4-N-(4-propylphenyl)pyrimidine-4,6-diamine
CID 80986116
4-N-(3,3-dimethylbutan-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 104830579
2-ethyl-5-methyl-4-N-(2-methylpentan-3-yl)pyrimidine-4,6-diamine
CID 80987277
6-chloro-2-ethyl-N-(4-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 80974052

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-5-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine (CID 80976892) is 2-ethyl-5-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-5-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-5-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine is CCc1nc(N)c(C)c(Nc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 2-ethyl-5-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The InChIKey is CYASFHSFCSPDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-14-19-15(17)11(4)16(20-14)18-13-8-6-12(7-9-13)10(2)3/h6-10H,5H2,1-4H3,(H3,17,18,19,20).
What are the key properties of 2-ethyl-5-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine?
2-ethyl-5-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80976892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).