4-N-(2-cyclopentylethyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine

C15H26N4 — CID 80790337

IUPAC4-N-(2-cyclopentylethyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NCCC2CCCC2)n1
InChIInChI=1S/C15H26N4/c1-3-9-17-15-18-12(2)11-14(19-15)16-10-8-13-6-4-5-7-13/h11,13H,3-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyGYKZBFJJOYBDLN-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.60
Rot. Bonds7

About 4-N-(2-cyclopentylethyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine

4-N-(2-cyclopentylethyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80790337) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-(2-cyclopentylethyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-cyclopentylethyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80790337
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-(2-cyclopentylethyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NCCC2CCCC2)n1
InChIInChI=1S/C15H26N4/c1-3-9-17-15-18-12(2)11-14(19-15)16-10-8-13-6-4-5-7-13/h11,13H,3-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyGYKZBFJJOYBDLN-UHFFFAOYSA-N
XLogP3.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-N-[(4-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80827768
6-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80814880
4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80827135
4-N-(2-ethylcyclohexyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80803006
4-(cyclopentylmethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80877303
6-methyl-4-N-(4-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773371
N-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636873
4-(cyclohexylmethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80879785
6-methyl-2-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine
CID 106433956
2-N-(2-cyclobutylethyl)-6-N-propylpyrazine-2,6-diamine
CID 113479503
6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 113480698
4-N-(2-cyclopentylethyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80955141

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclopentylethyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-cyclopentylethyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine (CID 80790337) is 4-N-(2-cyclopentylethyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-cyclopentylethyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-cyclopentylethyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(NCCC2CCCC2)n1.
What is the InChIKey of 4-N-(2-cyclopentylethyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is GYKZBFJJOYBDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-9-17-15-18-12(2)11-14(19-15)16-10-8-13-6-4-5-7-13/h11,13H,3-10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2-cyclopentylethyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine?
4-N-(2-cyclopentylethyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclopentylethyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80790337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).