4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine

C11H18N4 — CID 107416529

IUPAC4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine
SMILESCC1CCCC1CNc1ncncc1N
InChIInChI=1S/C11H18N4/c1-8-3-2-4-9(8)5-14-11-10(12)6-13-7-15-11/h6-9H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyJCJSGRHGMHBBJI-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.91
Rot. Bonds3

About 4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine

4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine (PubChem CID 107416529) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine
PubChem CID107416529
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine
SMILESCC1CCCC1CNc1ncncc1N
InChIInChI=1S/C11H18N4/c1-8-3-2-4-9(8)5-14-11-10(12)6-13-7-15-11/h6-9H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyJCJSGRHGMHBBJI-UHFFFAOYSA-N
XLogP1.91
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 105369322
5-methyl-2-N-[(2-methylcyclohexyl)methyl]pyridine-2,3-diamine
CID 66278219
6-hydrazinyl-5-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107421319
5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine
CID 80815368
3-methyl-2-N-[(2-methylcyclopentyl)methyl]pyridine-2,5-diamine
CID 107416546
6-methyl-2-N-[(2-methylcyclopentyl)methyl]pyridine-2,3-diamine
CID 107416531
5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-2,4-diamine
CID 80815292
4-methyl-2-N-[(2-methylcyclopentyl)methyl]pyridine-2,5-diamine
CID 107416554
4-N-(thian-2-ylmethyl)pyrimidine-4,5-diamine
CID 80595606
3,5-difluoro-N-[(2-methylcyclopentyl)methyl]pyridin-2-amine
CID 107419343
5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
CID 114047478
5-fluoro-N-[(2-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107419346

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine (CID 107416529) is 4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine is CC1CCCC1CNc1ncncc1N.
What is the InChIKey of 4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine?
The InChIKey is JCJSGRHGMHBBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-8-3-2-4-9(8)5-14-11-10(12)6-13-7-15-11/h6-9H,2-5,12H2,1H3,(H,13,14,15).
What are the key properties of 4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine?
4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 107416529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).