5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]thiophene-2-carboxamide

C16H19N3O2S — CID 125025075

IUPAC5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)s1
InChIInChI=1S/C16H19N3O2S/c1-11-4-5-14(22-11)16(20)18-9-13-6-7-17-15(19-13)12-3-2-8-21-10-12/h4-7,12H,2-3,8-10H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyZKADMOFKQJZSHS-LBPRGKRZSA-N
MW317.41 g/mol
LogP2.67
Rot. Bonds4

About 5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]thiophene-2-carboxamide

5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 125025075) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]thiophene-2-carboxamide
PubChem CID125025075
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)s1
InChIInChI=1S/C16H19N3O2S/c1-11-4-5-14(22-11)16(20)18-9-13-6-7-17-15(19-13)12-3-2-8-21-10-12/h4-7,12H,2-3,8-10H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyZKADMOFKQJZSHS-LBPRGKRZSA-N
XLogP2.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 110117950
5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]pyrazine-2-carboxamide
CID 124957512
N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124939962
2-(2-methyl-1,3-thiazol-4-yl)-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide
CID 110117974
N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide
CID 110117996
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]propanamide
CID 125016091
N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanesulfonamide
CID 110118014
N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]ethanesulfonamide
CID 125021480
2-imidazol-1-yl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide
CID 110117959
2-(2-fluorophenoxy)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide
CID 124987265
2-(3-fluorophenoxy)-N-[[2-[(3S)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide
CID 124983721
4-fluoro-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]benzenesulfonamide
CID 110118016

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]thiophene-2-carboxamide (CID 125025075) is 5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)s1.
What is the InChIKey of 5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]thiophene-2-carboxamide?
The InChIKey is ZKADMOFKQJZSHS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11-4-5-14(22-11)16(20)18-9-13-6-7-17-15(19-13)12-3-2-8-21-10-12/h4-7,12H,2-3,8-10H2,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of 5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]thiophene-2-carboxamide?
5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 125025075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).