2-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,5-diamine

C14H24N4 — CID 103965308

IUPAC2-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,5-diamine
SMILESCC1(C)CC(Nc2ncc(N)cn2)CC(C)(C)C1
InChIInChI=1S/C14H24N4/c1-13(2)5-11(6-14(3,4)9-13)18-12-16-7-10(15)8-17-12/h7-8,11H,5-6,9,15H2,1-4H3,(H,16,17,18)
InChIKeyNEPJZLXAESBSHA-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.08
Rot. Bonds2

About 2-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,5-diamine

2-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,5-diamine (PubChem CID 103965308) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,5-diamine
PubChem CID103965308
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,5-diamine
SMILESCC1(C)CC(Nc2ncc(N)cn2)CC(C)(C)C1
InChIInChI=1S/C14H24N4/c1-13(2)5-11(6-14(3,4)9-13)18-12-16-7-10(15)8-17-12/h7-8,11H,5-6,9,15H2,1-4H3,(H,16,17,18)
InChIKeyNEPJZLXAESBSHA-UHFFFAOYSA-N
XLogP3.08
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-cyclopropylpyrimidine-2,5-diamine
CID 59381911
6-chloro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-4,5-diamine
CID 103965332
2-N-cycloheptylpyrimidine-2,5-diamine
CID 61147383
5-bromo-4-methoxy-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-2-amine
CID 106997879
3-bromo-4-methyl-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,5-diamine
CID 104507129
2-N-(3,4-dimethylcyclohexyl)pyrimidine-2,5-diamine
CID 64740867
2-N-(2,2-dimethylcyclopentyl)pyrimidine-2,5-diamine
CID 79861067
5-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine
CID 103967192
2-N-(4-propylcyclohexyl)pyrimidine-2,5-diamine
CID 54962936
2-N-ethyl-5-fluoro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,4-diamine
CID 103968638
1-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexyl)imidazol-2-amine
CID 106579835
6-chloro-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,3-diamine
CID 103965270

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,5-diamine?
The IUPAC name of 2-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,5-diamine (CID 103965308) is 2-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,5-diamine is CC1(C)CC(Nc2ncc(N)cn2)CC(C)(C)C1.
What is the InChIKey of 2-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,5-diamine?
The InChIKey is NEPJZLXAESBSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-13(2)5-11(6-14(3,4)9-13)18-12-16-7-10(15)8-17-12/h7-8,11H,5-6,9,15H2,1-4H3,(H,16,17,18).
What are the key properties of 2-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,5-diamine?
2-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,5-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,5-diamine is sourced from PubChem (CID 103965308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).