4-N-(1-cyclopentylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine

C14H24N4 — CID 80985622

IUPAC4-N-(1-cyclopentylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NC(C)C2CCCC2)n1
InChIInChI=1S/C14H24N4/c1-4-12-17-13(15)9(2)14(18-12)16-10(3)11-7-5-6-8-11/h10-11H,4-8H2,1-3H3,(H3,15,16,17,18)
InChIKeyOOLNBUXMIUZAHQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.92
Rot. Bonds4

About 4-N-(1-cyclopentylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine

4-N-(1-cyclopentylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80985622) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-(1-cyclopentylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-cyclopentylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80985622
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-N-(1-cyclopentylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NC(C)C2CCCC2)n1
InChIInChI=1S/C14H24N4/c1-4-12-17-13(15)9(2)14(18-12)16-10(3)11-7-5-6-8-11/h10-11H,4-8H2,1-3H3,(H3,15,16,17,18)
InChIKeyOOLNBUXMIUZAHQ-UHFFFAOYSA-N
XLogP2.92
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(1-cyclopropylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80993489
4-N-(1-cyclopentylethyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80983559
N-(1-cyclohexylethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81007115
2-ethyl-5-methyl-4-N-(2-methylpentan-3-yl)pyrimidine-4,6-diamine
CID 80987277
4-N-(3,3-dimethylbutan-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 104830579
2-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80994083
4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80835008
N-(1-cyclohexylethyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80936916
2-ethyl-5-methyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
CID 80991755
2-ethyl-6-N,5-dimethyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80994059
6-chloro-2-ethyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 80970027
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163431

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclopentylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-cyclopentylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine (CID 80985622) is 4-N-(1-cyclopentylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-cyclopentylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-cyclopentylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine is CCc1nc(N)c(C)c(NC(C)C2CCCC2)n1.
What is the InChIKey of 4-N-(1-cyclopentylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is OOLNBUXMIUZAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-12-17-13(15)9(2)14(18-12)16-10(3)11-7-5-6-8-11/h10-11H,4-8H2,1-3H3,(H3,15,16,17,18).
What are the key properties of 4-N-(1-cyclopentylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-(1-cyclopentylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclopentylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80985622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).