2-N-ethyl-4-N,5-dimethyl-4-N-(3-methylcyclohexyl)pyrimidine-2,4-diamine

C15H26N4 — CID 80809604

IUPAC2-N-ethyl-4-N,5-dimethyl-4-N-(3-methylcyclohexyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(N(C)C2CCCC(C)C2)n1
InChIInChI=1S/C15H26N4/c1-5-16-15-17-10-12(3)14(18-15)19(4)13-8-6-7-11(2)9-13/h10-11,13H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyBHYHNBVPWMHXEK-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.23
Rot. Bonds4

About 2-N-ethyl-4-N,5-dimethyl-4-N-(3-methylcyclohexyl)pyrimidine-2,4-diamine

2-N-ethyl-4-N,5-dimethyl-4-N-(3-methylcyclohexyl)pyrimidine-2,4-diamine (PubChem CID 80809604) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-N-ethyl-4-N,5-dimethyl-4-N-(3-methylcyclohexyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N,5-dimethyl-4-N-(3-methylcyclohexyl)pyrimidine-2,4-diamine
PubChem CID80809604
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2-N-ethyl-4-N,5-dimethyl-4-N-(3-methylcyclohexyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(N(C)C2CCCC(C)C2)n1
InChIInChI=1S/C15H26N4/c1-5-16-15-17-10-12(3)14(18-15)19(4)13-8-6-7-11(2)9-13/h10-11,13H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyBHYHNBVPWMHXEK-UHFFFAOYSA-N
XLogP3.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-4-N,5-dimethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 80766637
5-fluoro-4-N-methyl-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80800040
2-N-ethyl-6-N-methyl-6-N-(3-methylcyclohexyl)-7H-purine-2,6-diamine
CID 114784173
5-bromo-4-N-cycloheptyl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80789656
4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80774891
2-N,4-N,4-N-triethyl-5-methylpyrimidine-2,4-diamine
CID 80766610
3-(ethylaminomethyl)-N,4,6-trimethyl-N-(3-methylcyclohexyl)pyridin-2-amine
CID 62284085
4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 80821171
2-N,4-N-dimethyl-4-N-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325764
5-(ethylamino)-N-methyl-N-(3-methylcyclohexyl)pyrazine-2-carboxamide
CID 107374833
2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine
CID 80789928
1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80849094

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N,5-dimethyl-4-N-(3-methylcyclohexyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N,5-dimethyl-4-N-(3-methylcyclohexyl)pyrimidine-2,4-diamine (CID 80809604) is 2-N-ethyl-4-N,5-dimethyl-4-N-(3-methylcyclohexyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N,5-dimethyl-4-N-(3-methylcyclohexyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N,5-dimethyl-4-N-(3-methylcyclohexyl)pyrimidine-2,4-diamine is CCNc1ncc(C)c(N(C)C2CCCC(C)C2)n1.
What is the InChIKey of 2-N-ethyl-4-N,5-dimethyl-4-N-(3-methylcyclohexyl)pyrimidine-2,4-diamine?
The InChIKey is BHYHNBVPWMHXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-5-16-15-17-10-12(3)14(18-15)19(4)13-8-6-7-11(2)9-13/h10-11,13H,5-9H2,1-4H3,(H,16,17,18).
What are the key properties of 2-N-ethyl-4-N,5-dimethyl-4-N-(3-methylcyclohexyl)pyrimidine-2,4-diamine?
2-N-ethyl-4-N,5-dimethyl-4-N-(3-methylcyclohexyl)pyrimidine-2,4-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N,5-dimethyl-4-N-(3-methylcyclohexyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80809604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).