1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine

C13H21ClN4O — CID 113401025

IUPAC1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
SMILESCOCc1nc(Cl)cc(N2CCCC(N(C)C)C2)n1
InChIInChI=1S/C13H21ClN4O/c1-17(2)10-5-4-6-18(8-10)13-7-11(14)15-12(16-13)9-19-3/h7,10H,4-6,8-9H2,1-3H3
InChIKeyNMWMZVZPCUNXSM-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.81
Rot. Bonds4

About 1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine

1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine (PubChem CID 113401025) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
PubChem CID113401025
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
SMILESCOCc1nc(Cl)cc(N2CCCC(N(C)C)C2)n1
InChIInChI=1S/C13H21ClN4O/c1-17(2)10-5-4-6-18(8-10)13-7-11(14)15-12(16-13)9-19-3/h7,10H,4-6,8-9H2,1-3H3
InChIKeyNMWMZVZPCUNXSM-UHFFFAOYSA-N
XLogP1.81
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-chloro-2-ethylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
CID 80936809
1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 80950779
1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide
CID 103197437
(4aR,8aR)-1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727533
4-[3-(dimethylamino)piperidin-1-yl]-6-methoxypyrimidin-2-amine
CID 45184702
4-chloro-2-(methoxymethyl)-6-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyrimidine
CID 138550747
1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
CID 114562722
2-(methoxymethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 113401270
1-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]piperidin-3-ol
CID 113401369
3-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
CID 113400951
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 80946979
6-chloro-N-cyclopentyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
CID 113400832

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine (CID 113401025) is 1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine is COCc1nc(Cl)cc(N2CCCC(N(C)C)C2)n1.
What is the InChIKey of 1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is NMWMZVZPCUNXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-17(2)10-5-4-6-18(8-10)13-7-11(14)15-12(16-13)9-19-3/h7,10H,4-6,8-9H2,1-3H3.
What are the key properties of 1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine?
1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 284.79 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 113401025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).