1-[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine

C14H23ClN4 — CID 80971751

IUPAC1-[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCCc1nc(Cl)c(C)c(N2CCCC2CN(C)C)n1
InChIInChI=1S/C14H23ClN4/c1-5-12-16-13(15)10(2)14(17-12)19-8-6-7-11(19)9-18(3)4/h11H,5-9H2,1-4H3
InChIKeyLZRHJLJFIRPIGM-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.53
Rot. Bonds4

About 1-[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 80971751) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 1-[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID80971751
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name1-[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCCc1nc(Cl)c(C)c(N2CCCC2CN(C)C)n1
InChIInChI=1S/C14H23ClN4/c1-5-12-16-13(15)10(2)14(17-12)19-8-6-7-11(19)9-18(3)4/h11H,5-9H2,1-4H3
InChIKeyLZRHJLJFIRPIGM-UHFFFAOYSA-N
XLogP2.53
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3,6-dichloro-1,2,4-triazin-5-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 81036152
2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 80978874
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80824999
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,2-diethylpyrimidin-4-amine
CID 80934977
6-chloro-2-ethyl-N,5-dimethyl-N-(1-methylpiperidin-3-yl)pyrimidin-4-amine
CID 80971369
1-[1-(6-chloro-5-propylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 63730372
[1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80987896
1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane
CID 80978841
1-[1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 55230088
3,5-dichloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyridin-2-amine
CID 102758009
1-[1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 83155383
2-tert-butyl-4-chloro-5-methyl-6-(2-propylpiperidin-1-yl)pyrimidine
CID 83046088

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 80971751) is 1-[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine is CCc1nc(Cl)c(C)c(N2CCCC2CN(C)C)n1.
What is the InChIKey of 1-[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is LZRHJLJFIRPIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-5-12-16-13(15)10(2)14(17-12)19-8-6-7-11(19)9-18(3)4/h11H,5-9H2,1-4H3.
What are the key properties of 1-[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 282.82 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 80971751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).