5-chloro-4-N-(3,3-dimethylcyclopentyl)pyrimidine-4,6-diamine

C11H17ClN4 — CID 106812350

IUPAC5-chloro-4-N-(3,3-dimethylcyclopentyl)pyrimidine-4,6-diamine
SMILESCC1(C)CCC(Nc2ncnc(N)c2Cl)C1
InChIInChI=1S/C11H17ClN4/c1-11(2)4-3-7(5-11)16-10-8(12)9(13)14-6-15-10/h6-7H,3-5H2,1-2H3,(H3,13,14,15,16)
InChIKeyXCFZQKWJQQXXBB-UHFFFAOYSA-N
MW240.74 g/mol
LogP2.70
Rot. Bonds2

About 5-chloro-4-N-(3,3-dimethylcyclopentyl)pyrimidine-4,6-diamine

5-chloro-4-N-(3,3-dimethylcyclopentyl)pyrimidine-4,6-diamine (PubChem CID 106812350) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 5-chloro-4-N-(3,3-dimethylcyclopentyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(3,3-dimethylcyclopentyl)pyrimidine-4,6-diamine
PubChem CID106812350
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name5-chloro-4-N-(3,3-dimethylcyclopentyl)pyrimidine-4,6-diamine
SMILESCC1(C)CCC(Nc2ncnc(N)c2Cl)C1
InChIInChI=1S/C11H17ClN4/c1-11(2)4-3-7(5-11)16-10-8(12)9(13)14-6-15-10/h6-7H,3-5H2,1-2H3,(H3,13,14,15,16)
InChIKeyXCFZQKWJQQXXBB-UHFFFAOYSA-N
XLogP2.70
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-(3,3-dimethylcyclohexyl)pyrimidine-4,6-diamine
CID 106812467
4-N-(3,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine
CID 114542173
3-N-(3,3-dimethylcyclopentyl)pyrazine-2,3-diamine
CID 103883799
4-N-(4,4-dimethylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80838058
N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine
CID 114542332
4-N-(4,4-dimethylcyclohexyl)-5-nitropyrimidine-4,6-diamine
CID 80837382
2-N-(3,3-dimethylcyclopentyl)-3-methylpyridine-2,5-diamine
CID 114543290
3-N-(3,3-dimethylcyclopentyl)quinoxaline-2,3-diamine
CID 102987502
N-(3,3-dimethylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine
CID 115880973
6-chloro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-4,5-diamine
CID 103965332
5-chloro-4-N-[(1-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
CID 106812191
2-cyclopropyl-4-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidine-4,6-diamine
CID 114542185

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(3,3-dimethylcyclopentyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-(3,3-dimethylcyclopentyl)pyrimidine-4,6-diamine (CID 106812350) is 5-chloro-4-N-(3,3-dimethylcyclopentyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-(3,3-dimethylcyclopentyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-(3,3-dimethylcyclopentyl)pyrimidine-4,6-diamine is CC1(C)CCC(Nc2ncnc(N)c2Cl)C1.
What is the InChIKey of 5-chloro-4-N-(3,3-dimethylcyclopentyl)pyrimidine-4,6-diamine?
The InChIKey is XCFZQKWJQQXXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-11(2)4-3-7(5-11)16-10-8(12)9(13)14-6-15-10/h6-7H,3-5H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 5-chloro-4-N-(3,3-dimethylcyclopentyl)pyrimidine-4,6-diamine?
5-chloro-4-N-(3,3-dimethylcyclopentyl)pyrimidine-4,6-diamine has a molecular weight of 240.74 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(3,3-dimethylcyclopentyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106812350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).