5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine

C11H16ClN3O — CID 115733688

IUPAC5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCCC2CCC2)n1
InChIInChI=1S/C11H16ClN3O/c1-16-11-14-7-9(12)10(15-11)13-6-5-8-3-2-4-8/h7-8H,2-6H2,1H3,(H,13,14,15)
InChIKeyHKCKTFAKBUAOJX-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.74
Rot. Bonds5

About 5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine

5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine (PubChem CID 115733688) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine
PubChem CID115733688
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCCC2CCC2)n1
InChIInChI=1S/C11H16ClN3O/c1-16-11-14-7-9(12)10(15-11)13-6-5-8-3-2-4-8/h7-8H,2-6H2,1H3,(H,13,14,15)
InChIKeyHKCKTFAKBUAOJX-UHFFFAOYSA-N
XLogP2.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methoxypyrimidin-4-amine
CID 103766956
N-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methoxypyrimidin-4-amine
CID 80752333
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol
CID 80758347
5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107419339
5-chloro-N-[3-(2-chloroethoxy)propyl]-2-methoxypyrimidin-4-amine
CID 106306445
5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-2-methoxypyrimidin-4-amine
CID 103837643
5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 80758184
5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 114138477
5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80757838
5-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 107302432
2-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 80758793
N'-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropyl-N,N-dimethylethane-1,2-diamine
CID 133454072

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine (CID 115733688) is 5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine is COc1ncc(Cl)c(NCCC2CCC2)n1.
What is the InChIKey of 5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine?
The InChIKey is HKCKTFAKBUAOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-16-11-14-7-9(12)10(15-11)13-6-5-8-3-2-4-8/h7-8H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine?
5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine has a molecular weight of 241.72 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine is sourced from PubChem (CID 115733688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).