4-N-(3,3-dimethylcyclopentyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine

C14H24N4 — CID 114542178

IUPAC4-N-(3,3-dimethylcyclopentyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NC2CCC(C)(C)C2)c1C
InChIInChI=1S/C14H24N4/c1-9-12(15-5)16-10(2)17-13(9)18-11-6-7-14(3,4)8-11/h11H,6-8H2,1-5H3,(H2,15,16,17,18)
InChIKeyHEIHMMCXGNQEGE-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.13
Rot. Bonds3

About 4-N-(3,3-dimethylcyclopentyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine

4-N-(3,3-dimethylcyclopentyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine (PubChem CID 114542178) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-(3,3-dimethylcyclopentyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylcyclopentyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
PubChem CID114542178
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-N-(3,3-dimethylcyclopentyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NC2CCC(C)(C)C2)c1C
InChIInChI=1S/C14H24N4/c1-9-12(15-5)16-10(2)17-13(9)18-11-6-7-14(3,4)8-11/h11H,6-8H2,1-5H3,(H2,15,16,17,18)
InChIKeyHEIHMMCXGNQEGE-UHFFFAOYSA-N
XLogP3.13
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80984810
2-cyclopropyl-4-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidine-4,6-diamine
CID 114542185
6-chloro-2-cyclopropyl-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine
CID 114549347
6-(4,4-dimethylcyclohexyl)oxy-N,2,5-trimethylpyrimidin-4-amine
CID 114342954
6-N,2,5-trimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrimidine-4,6-diamine
CID 80828303
4-N-(3,3-dimethylcyclopentyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 114542094
6-[(3,3-dimethylcyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 115881029
4-N-(3,3-dimethylcyclopentyl)-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 114542170
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826319
3-N-(3,3-dimethylcyclopentyl)pyrazine-2,3-diamine
CID 103883799
3-N-(3,3-dimethylcyclopentyl)quinoxaline-2,3-diamine
CID 102987502
2-N-(3,3-dimethylcyclopentyl)-3-methylpyridine-2,5-diamine
CID 114543290

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylcyclopentyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,3-dimethylcyclopentyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine (CID 114542178) is 4-N-(3,3-dimethylcyclopentyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylcyclopentyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,3-dimethylcyclopentyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine is CNc1nc(C)nc(NC2CCC(C)(C)C2)c1C.
What is the InChIKey of 4-N-(3,3-dimethylcyclopentyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is HEIHMMCXGNQEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-9-12(15-5)16-10(2)17-13(9)18-11-6-7-14(3,4)8-11/h11H,6-8H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 4-N-(3,3-dimethylcyclopentyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine?
4-N-(3,3-dimethylcyclopentyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylcyclopentyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 114542178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).