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

C14H23ClN4 — CID 55230088

IUPAC1-[1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCC(C)c1c(Cl)ncnc1N1CCCC1CN(C)C
InChIInChI=1S/C14H23ClN4/c1-10(2)12-13(15)16-9-17-14(12)19-7-5-6-11(19)8-18(3)4/h9-11H,5-8H2,1-4H3
InChIKeyFWIICZDACGKUKV-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.78
Rot. Bonds4

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

1-[1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 55230088) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 1-[1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID55230088
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name1-[1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCC(C)c1c(Cl)ncnc1N1CCCC1CN(C)C
InChIInChI=1S/C14H23ClN4/c1-10(2)12-13(15)16-9-17-14(12)19-7-5-6-11(19)8-18(3)4/h9-11H,5-8H2,1-4H3
InChIKeyFWIICZDACGKUKV-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

6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-propan-2-ylpyrimidin-4-amine
CID 80825349
1-[1-(6-chloro-5-propylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 63730372
5-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 114072228
4-chloro-5-propan-2-yl-6-pyrrolidin-1-ylpyrimidine
CID 63736116
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,5-diethylpyrimidin-4-amine
CID 80825609
1-[1-(3,6-dichloro-1,2,4-triazin-5-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 81036152
1-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 80951641
1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]ethanamine
CID 55127959
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methyl-5-nitropyrimidin-4-amine
CID 80823234
4-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propan-2-ylpyrimidine
CID 55231010
N-ethyl-6-(2-ethylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80775470
1-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 80919325

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 55230088) is 1-[1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine is CC(C)c1c(Cl)ncnc1N1CCCC1CN(C)C.
What is the InChIKey of 1-[1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is FWIICZDACGKUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-10(2)12-13(15)16-9-17-14(12)19-7-5-6-11(19)8-18(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-[1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-(6-chloro-5-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-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 55230088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).