[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone

C16H20N4OS — CID 110113693

IUPAC[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCNc1cc(C2CCCN2C(=O)c2ccc(C)s2)nc(C)n1
InChIInChI=1S/C16H20N4OS/c1-10-6-7-14(22-10)16(21)20-8-4-5-13(20)12-9-15(17-3)19-11(2)18-12/h6-7,9,13H,4-5,8H2,1-3H3,(H,17,18,19)
InChIKeyKHNQGEFVAORNBY-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.17
Rot. Bonds3

About [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone

[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 110113693) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID110113693
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCNc1cc(C2CCCN2C(=O)c2ccc(C)s2)nc(C)n1
InChIInChI=1S/C16H20N4OS/c1-10-6-7-14(22-10)16(21)20-8-4-5-13(20)12-9-15(17-3)19-11(2)18-12/h6-7,9,13H,4-5,8H2,1-3H3,(H,17,18,19)
InChIKeyKHNQGEFVAORNBY-UHFFFAOYSA-N
XLogP3.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 110091139
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 124953053
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 110113681
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 124975862
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124950827
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 124955176
(4-ethylthiadiazol-5-yl)-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 125020486
(1-ethylpyrazol-4-yl)-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 125009135
(5-fluoro-1H-indol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 124976851
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 110113668
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 110091329
1H-indazol-3-yl-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 124950054

Frequently Asked Questions

What is the IUPAC name of [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 110113693) is [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone is CNc1cc(C2CCCN2C(=O)c2ccc(C)s2)nc(C)n1.
What is the InChIKey of [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is KHNQGEFVAORNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-10-6-7-14(22-10)16(21)20-8-4-5-13(20)12-9-15(17-3)19-11(2)18-12/h6-7,9,13H,4-5,8H2,1-3H3,(H,17,18,19).
What are the key properties of [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone?
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 316.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 110113693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).