1-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine

C14H23ClN4 — CID 80951641

IUPAC1-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCC(C)c1nc(Cl)cc(N2CCCC2CN(C)C)n1
InChIInChI=1S/C14H23ClN4/c1-10(2)14-16-12(15)8-13(17-14)19-7-5-6-11(19)9-18(3)4/h8,10-11H,5-7,9H2,1-4H3
InChIKeyJSTDKZRFOKKAPW-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.78
Rot. Bonds4

About 1-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 80951641) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 1-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID80951641
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name1-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCC(C)c1nc(Cl)cc(N2CCCC2CN(C)C)n1
InChIInChI=1S/C14H23ClN4/c1-10(2)14-16-12(15)8-13(17-14)19-7-5-6-11(19)9-18(3)4/h8,10-11H,5-7,9H2,1-4H3
InChIKeyJSTDKZRFOKKAPW-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80951421
2-chloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 83076830
4-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-propan-2-ylpyrimidine
CID 80951632
6-(2-ethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80968032
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,6-dimethylpyrimidin-2-amine
CID 80825077
1-[1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 83155383
1-[1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 55230088
[1-(6-chloro-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80936341
1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 80954178
5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrazin-2-amine
CID 80653400
[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80954082
1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62890368

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 80951641) is 1-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine is CC(C)c1nc(Cl)cc(N2CCCC2CN(C)C)n1.
What is the InChIKey of 1-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is JSTDKZRFOKKAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-10(2)14-16-12(15)8-13(17-14)19-7-5-6-11(19)9-18(3)4/h8,10-11H,5-7,9H2,1-4H3.
What are the key properties of 1-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 282.82 g/mol, XLogP of 2.78, 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-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 80951641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).