(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide

C17H24N6OS — CID 125007387

IUPAC(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1cnc(NC(=O)[C@]2(C)CCCN(c3cc(N(C)C)ncn3)C2)s1
InChIInChI=1S/C17H24N6OS/c1-12-9-18-16(25-12)21-15(24)17(2)6-5-7-23(10-17)14-8-13(22(3)4)19-11-20-14/h8-9,11H,5-7,10H2,1-4H3,(H,18,21,24)/t17-/m1/s1
InChIKeyUNBRVCYAZTYWCJ-QGZVFWFLSA-N
MW360.49 g/mol
LogP2.55
Rot. Bonds4

About (3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide

(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 125007387) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is (3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID125007387
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC Name(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1cnc(NC(=O)[C@]2(C)CCCN(c3cc(N(C)C)ncn3)C2)s1
InChIInChI=1S/C17H24N6OS/c1-12-9-18-16(25-12)21-15(24)17(2)6-5-7-23(10-17)14-8-13(22(3)4)19-11-20-14/h8-9,11H,5-7,10H2,1-4H3,(H,18,21,24)/t17-/m1/s1
InChIKeyUNBRVCYAZTYWCJ-QGZVFWFLSA-N
XLogP2.55
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 125007387) is (3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide is Cc1cnc(NC(=O)[C@]2(C)CCCN(c3cc(N(C)C)ncn3)C2)s1.
What is the InChIKey of (3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is UNBRVCYAZTYWCJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-12-9-18-16(25-12)21-15(24)17(2)6-5-7-23(10-17)14-8-13(22(3)4)19-11-20-14/h8-9,11H,5-7,10H2,1-4H3,(H,18,21,24)/t17-/m1/s1.
What are the key properties of (3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 360.49 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 125007387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).