6-chloro-N-cyclopentyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine

C13H20ClN3O — CID 113400832

IUPAC6-chloro-N-cyclopentyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
SMILESCCN(c1cc(Cl)nc(COC)n1)C1CCCC1
InChIInChI=1S/C13H20ClN3O/c1-3-17(10-6-4-5-7-10)13-8-11(14)15-12(16-13)9-18-2/h8,10H,3-7,9H2,1-2H3
InChIKeyNUJSMDKRWOLTIQ-UHFFFAOYSA-N
MW269.78 g/mol
LogP3.05
Rot. Bonds5

About 6-chloro-N-cyclopentyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine

6-chloro-N-cyclopentyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine (PubChem CID 113400832) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 6-chloro-N-cyclopentyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopentyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
PubChem CID113400832
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name6-chloro-N-cyclopentyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
SMILESCCN(c1cc(Cl)nc(COC)n1)C1CCCC1
InChIInChI=1S/C13H20ClN3O/c1-3-17(10-6-4-5-7-10)13-8-11(14)15-12(16-13)9-18-2/h8,10H,3-7,9H2,1-2H3
InChIKeyNUJSMDKRWOLTIQ-UHFFFAOYSA-N
XLogP3.05
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine
CID 80940885
6-chloro-N-cyclohexyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80949356
N-cyclohexyl-N-ethyl-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119070220
6-chloro-N-cyclopropyl-N-ethyl-2-methylpyrimidin-4-amine
CID 62482724
6-chloro-N-cyclohexyl-2-(ethoxymethyl)-N-methylpyrimidin-4-amine
CID 113400782
6-chloro-N-cyclohexyl-N-ethylpyrimidin-4-amine
CID 53410294
6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine
CID 82463145
2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 55080382
4-(chloromethyl)-N-cyclopentyl-N,6-diethylpyridin-2-amine
CID 113380658
1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
CID 113401025
4-N-cyclohexyl-4-N,2-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80934243
6-chloro-N-cyclopropyl-2-propyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80938379

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopentyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclopentyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine (CID 113400832) is 6-chloro-N-cyclopentyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclopentyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclopentyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine is CCN(c1cc(Cl)nc(COC)n1)C1CCCC1.
What is the InChIKey of 6-chloro-N-cyclopentyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is NUJSMDKRWOLTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-3-17(10-6-4-5-7-10)13-8-11(14)15-12(16-13)9-18-2/h8,10H,3-7,9H2,1-2H3.
What are the key properties of 6-chloro-N-cyclopentyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine?
6-chloro-N-cyclopentyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 269.78 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopentyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 113400832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).