2-N-(2,2-dimethylcyclopentyl)pyrimidine-2,5-diamine

C11H18N4 — CID 79861067

IUPAC2-N-(2,2-dimethylcyclopentyl)pyrimidine-2,5-diamine
SMILESCC1(C)CCCC1Nc1ncc(N)cn1
InChIInChI=1S/C11H18N4/c1-11(2)5-3-4-9(11)15-10-13-6-8(12)7-14-10/h6-7,9H,3-5,12H2,1-2H3,(H,13,14,15)
InChIKeyIWBOHTFHYRNPNF-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.05
Rot. Bonds2

About 2-N-(2,2-dimethylcyclopentyl)pyrimidine-2,5-diamine

2-N-(2,2-dimethylcyclopentyl)pyrimidine-2,5-diamine (PubChem CID 79861067) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-N-(2,2-dimethylcyclopentyl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2,2-dimethylcyclopentyl)pyrimidine-2,5-diamine
PubChem CID79861067
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-N-(2,2-dimethylcyclopentyl)pyrimidine-2,5-diamine
SMILESCC1(C)CCCC1Nc1ncc(N)cn1
InChIInChI=1S/C11H18N4/c1-11(2)5-3-4-9(11)15-10-13-6-8(12)7-14-10/h6-7,9H,3-5,12H2,1-2H3,(H,13,14,15)
InChIKeyIWBOHTFHYRNPNF-UHFFFAOYSA-N
XLogP2.05
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(2,2-dimethylcyclopentyl)pyridine-3,5-diamine
CID 104535281
5-bromo-N-(2,2-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine
CID 106997842
N-(2,2-dimethylcyclopentyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80929537
6-chloro-4-N-(2,2-dimethylcyclohexyl)pyrimidine-4,5-diamine
CID 79862142
2-N-(2,2-dimethylcyclopentyl)pyrazine-2,6-diamine
CID 79840009
2-N-cycloheptylpyrimidine-2,5-diamine
CID 61147383
2-N-cyclopropylpyrimidine-2,5-diamine
CID 59381911
3-N-(2,2-dimethylcyclohexyl)pyrazine-2,3-diamine
CID 103753764
5-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carboxamide
CID 114090460
N-(2,2-dimethylcyclopentyl)-3-methylpyrazin-2-amine
CID 83064774
5-bromo-4-N-(2,2-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
CID 80849952
4-N-(2,2-dimethylcyclohexyl)-5-fluoropyrimidine-2,4-diamine
CID 80849472

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-dimethylcyclopentyl)pyrimidine-2,5-diamine?
The IUPAC name of 2-N-(2,2-dimethylcyclopentyl)pyrimidine-2,5-diamine (CID 79861067) is 2-N-(2,2-dimethylcyclopentyl)pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-(2,2-dimethylcyclopentyl)pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-(2,2-dimethylcyclopentyl)pyrimidine-2,5-diamine is CC1(C)CCCC1Nc1ncc(N)cn1.
What is the InChIKey of 2-N-(2,2-dimethylcyclopentyl)pyrimidine-2,5-diamine?
The InChIKey is IWBOHTFHYRNPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-11(2)5-3-4-9(11)15-10-13-6-8(12)7-14-10/h6-7,9H,3-5,12H2,1-2H3,(H,13,14,15).
What are the key properties of 2-N-(2,2-dimethylcyclopentyl)pyrimidine-2,5-diamine?
2-N-(2,2-dimethylcyclopentyl)pyrimidine-2,5-diamine has a molecular weight of 206.29 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-dimethylcyclopentyl)pyrimidine-2,5-diamine is sourced from PubChem (CID 79861067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).