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

C15H17N3O2S — CID 124949882

IUPACN-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]thiophene-3-carboxamide
SMILESO=C(NCc1cnc([C@H]2CCCCO2)nc1)c1ccsc1
InChIInChI=1S/C15H17N3O2S/c19-15(12-4-6-21-10-12)18-9-11-7-16-14(17-8-11)13-3-1-2-5-20-13/h4,6-8,10,13H,1-3,5,9H2,(H,18,19)/t13-/m1/s1
InChIKeyCXKYJEPTDMPSBY-CYBMUJFWSA-N
MW303.39 g/mol
LogP2.71
Rot. Bonds4

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

N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]thiophene-3-carboxamide (PubChem CID 124949882) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]thiophene-3-carboxamide
PubChem CID124949882
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]thiophene-3-carboxamide
SMILESO=C(NCc1cnc([C@H]2CCCCO2)nc1)c1ccsc1
InChIInChI=1S/C15H17N3O2S/c19-15(12-4-6-21-10-12)18-9-11-7-16-14(17-8-11)13-3-1-2-5-20-13/h4,6-8,10,13H,1-3,5,9H2,(H,18,19)/t13-/m1/s1
InChIKeyCXKYJEPTDMPSBY-CYBMUJFWSA-N
XLogP2.71
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide
CID 110117751
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124955120
4-[(dimethylamino)methyl]-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]benzamide
CID 110117770
N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-2-ylacetamide
CID 110117723
4-[(dimethylamino)methyl]-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 124945377
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide
CID 124973943
3-(methoxymethyl)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 124979072
4-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-oxazole-5-carboxamide
CID 124977574
5-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazine-2-carboxamide
CID 124956730
4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
CID 125023729
5-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide
CID 110117708
3-fluoro-4-methoxy-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 125002782

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]thiophene-3-carboxamide (CID 124949882) is N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]thiophene-3-carboxamide is O=C(NCc1cnc([C@H]2CCCCO2)nc1)c1ccsc1.
What is the InChIKey of N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]thiophene-3-carboxamide?
The InChIKey is CXKYJEPTDMPSBY-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-15(12-4-6-21-10-12)18-9-11-7-16-14(17-8-11)13-3-1-2-5-20-13/h4,6-8,10,13H,1-3,5,9H2,(H,18,19)/t13-/m1/s1.
What are the key properties of N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]thiophene-3-carboxamide?
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]thiophene-3-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 124949882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).