N,N-dimethyl-1-[2-methyl-4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine

C16H23N5S — CID 124969108

IUPACN,N-dimethyl-1-[2-methyl-4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine
SMILESCc1ncc(CN(C)C)c([C@@H]2CCCN2Cc2nccs2)n1
InChIInChI=1S/C16H23N5S/c1-12-18-9-13(10-20(2)3)16(19-12)14-5-4-7-21(14)11-15-17-6-8-22-15/h6,8-9,14H,4-5,7,10-11H2,1-3H3/t14-/m0/s1
InChIKeyJGDXHQAHGNKEIP-AWEZNQCLSA-N
MW317.46 g/mol
LogP2.64
Rot. Bonds5

About N,N-dimethyl-1-[2-methyl-4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine

N,N-dimethyl-1-[2-methyl-4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine (PubChem CID 124969108) has the molecular formula C16H23N5S and a molecular weight of 317.46 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-methyl-4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-methyl-4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine
PubChem CID124969108
Molecular FormulaC16H23N5S
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC NameN,N-dimethyl-1-[2-methyl-4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine
SMILESCc1ncc(CN(C)C)c([C@@H]2CCCN2Cc2nccs2)n1
InChIInChI=1S/C16H23N5S/c1-12-18-9-13(10-20(2)3)16(19-12)14-5-4-7-21(14)11-15-17-6-8-22-15/h6,8-9,14H,4-5,7,10-11H2,1-3H3/t14-/m0/s1
InChIKeyJGDXHQAHGNKEIP-AWEZNQCLSA-N
XLogP2.64
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-1-[2-methyl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine
CID 110116763
2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-N-methylacetamide
CID 110116753
1-[4-[1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine
CID 110116785
1-[4-[1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine
CID 110116819
N,N-dimethyl-6-[(2R)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-amine
CID 125005171
1-[4-[(2R)-1-cyclopentylsulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine
CID 124958910
N,N-dimethyl-1-[2-methyl-4-[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine
CID 110116781
1-[(2S)-2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 125014018
2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 99947605
[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 110116761
2-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 128978977
3,5-dimethyl-4-[4-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-1,2-oxazole
CID 110129440

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-methyl-4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-methyl-4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine (CID 124969108) is N,N-dimethyl-1-[2-methyl-4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-methyl-4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-methyl-4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine is Cc1ncc(CN(C)C)c([C@@H]2CCCN2Cc2nccs2)n1.
What is the InChIKey of N,N-dimethyl-1-[2-methyl-4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine?
The InChIKey is JGDXHQAHGNKEIP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N5S/c1-12-18-9-13(10-20(2)3)16(19-12)14-5-4-7-21(14)11-15-17-6-8-22-15/h6,8-9,14H,4-5,7,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of N,N-dimethyl-1-[2-methyl-4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine?
N,N-dimethyl-1-[2-methyl-4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine has a molecular weight of 317.46 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-methyl-4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine is sourced from PubChem (CID 124969108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).