5-chloro-4-N-(3,5-dimethylcyclohexyl)-2-N-ethylpyrimidine-2,4-diamine

C14H23ClN4 — CID 80841105

IUPAC5-chloro-4-N-(3,5-dimethylcyclohexyl)-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NC2CC(C)CC(C)C2)n1
InChIInChI=1S/C14H23ClN4/c1-4-16-14-17-8-12(15)13(19-14)18-11-6-9(2)5-10(3)7-11/h8-11H,4-7H2,1-3H3,(H2,16,17,18,19)
InChIKeyOLVZNPJAQIVSSR-UHFFFAOYSA-N
MW282.82 g/mol
LogP3.80
Rot. Bonds4

About 5-chloro-4-N-(3,5-dimethylcyclohexyl)-2-N-ethylpyrimidine-2,4-diamine

5-chloro-4-N-(3,5-dimethylcyclohexyl)-2-N-ethylpyrimidine-2,4-diamine (PubChem CID 80841105) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 5-chloro-4-N-(3,5-dimethylcyclohexyl)-2-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(3,5-dimethylcyclohexyl)-2-N-ethylpyrimidine-2,4-diamine
PubChem CID80841105
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name5-chloro-4-N-(3,5-dimethylcyclohexyl)-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NC2CC(C)CC(C)C2)n1
InChIInChI=1S/C14H23ClN4/c1-4-16-14-17-8-12(15)13(19-14)18-11-6-9(2)5-10(3)7-11/h8-11H,4-7H2,1-3H3,(H2,16,17,18,19)
InChIKeyOLVZNPJAQIVSSR-UHFFFAOYSA-N
XLogP3.80
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-N-ethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 80784211
5-chloro-4-N-(1,1-dioxothiolan-3-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 80784884
5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80769890
5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one
CID 80833810
5-chloro-4-N-(3,4-dimethylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80841109
5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine
CID 80772251
4-N-(1-benzylpiperidin-4-yl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 113258960
5-chloro-N-(3,5-dimethylcyclohexyl)pyrimidin-2-amine
CID 79557581
5-chloro-N-(3-methylcyclobutyl)pyrimidin-4-amine
CID 105369616
4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 80765829
4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80841234
2-[[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80856601

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(3,5-dimethylcyclohexyl)-2-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(3,5-dimethylcyclohexyl)-2-N-ethylpyrimidine-2,4-diamine (CID 80841105) is 5-chloro-4-N-(3,5-dimethylcyclohexyl)-2-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(3,5-dimethylcyclohexyl)-2-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(3,5-dimethylcyclohexyl)-2-N-ethylpyrimidine-2,4-diamine is CCNc1ncc(Cl)c(NC2CC(C)CC(C)C2)n1.
What is the InChIKey of 5-chloro-4-N-(3,5-dimethylcyclohexyl)-2-N-ethylpyrimidine-2,4-diamine?
The InChIKey is OLVZNPJAQIVSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-4-16-14-17-8-12(15)13(19-14)18-11-6-9(2)5-10(3)7-11/h8-11H,4-7H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 5-chloro-4-N-(3,5-dimethylcyclohexyl)-2-N-ethylpyrimidine-2,4-diamine?
5-chloro-4-N-(3,5-dimethylcyclohexyl)-2-N-ethylpyrimidine-2,4-diamine has a molecular weight of 282.82 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 5-chloro-4-N-(3,5-dimethylcyclohexyl)-2-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80841105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).