2-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-2,4-diamine

C13H22N4O — CID 80817562

IUPAC2-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NC2CCCC2OC)n1
InChIInChI=1S/C13H22N4O/c1-4-14-13-15-8-9(2)12(17-13)16-10-6-5-7-11(10)18-3/h8,10-11H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyNJTDOLZFZSTVSQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.20
Rot. Bonds5

About 2-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-2,4-diamine

2-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-2,4-diamine (PubChem CID 80817562) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-2,4-diamine
PubChem CID80817562
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NC2CCCC2OC)n1
InChIInChI=1S/C13H22N4O/c1-4-14-13-15-8-9(2)12(17-13)16-10-6-5-7-11(10)18-3/h8,10-11H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyNJTDOLZFZSTVSQ-UHFFFAOYSA-N
XLogP2.20
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,3-dimethylcyclohexyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80777222
5-fluoro-4-N-(2-methoxycyclopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 80817323
2-N-ethyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-2,4-diamine
CID 80840988
5-bromo-4-N-(2-methoxycyclopentyl)-2-N-methylpyrimidine-2,4-diamine
CID 80817325
N-(2-methoxycyclopentyl)-3,6-dimethylpyrazin-2-amine
CID 65417548
2-N-ethyl-5-methyl-4-N-(oxan-3-yl)pyrimidine-2,4-diamine
CID 80830256
2-N-ethyl-5-methyl-4-N-(2-phenylcyclopropyl)pyrimidine-2,4-diamine
CID 80813661
6-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80984840
5-methyl-4-N-(2-methylcycloheptyl)-2-N-propylpyrimidine-2,4-diamine
CID 80847547
2-N-ethyl-5-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 80853565
4-N-(3,3-dimethylcyclopentyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 114542208
N-ethyl-4-(3-methoxycyclohexyl)oxy-5-methylpyrimidin-2-amine
CID 80877178

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-2,4-diamine (CID 80817562) is 2-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-2,4-diamine is CCNc1ncc(C)c(NC2CCCC2OC)n1.
What is the InChIKey of 2-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-2,4-diamine?
The InChIKey is NJTDOLZFZSTVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-14-13-15-8-9(2)12(17-13)16-10-6-5-7-11(10)18-3/h8,10-11H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-2,4-diamine?
2-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-2,4-diamine has a molecular weight of 250.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80817562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).