2-cyclopropyl-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]pyrimidine-5-carboxamide

C16H19N3O2S — CID 74246897

IUPAC2-cyclopropyl-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]pyrimidine-5-carboxamide
SMILESO=C(NCC(CO)Cc1cccs1)c1cnc(C2CC2)nc1
InChIInChI=1S/C16H19N3O2S/c20-10-11(6-14-2-1-5-22-14)7-19-16(21)13-8-17-15(18-9-13)12-3-4-12/h1-2,5,8-9,11-12,20H,3-4,6-7,10H2,(H,19,21)
InChIKeyHCEKCPWCAMTJGR-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.00
Rot. Bonds7

About 2-cyclopropyl-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]pyrimidine-5-carboxamide

2-cyclopropyl-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]pyrimidine-5-carboxamide (PubChem CID 74246897) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]pyrimidine-5-carboxamide
PubChem CID74246897
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-cyclopropyl-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]pyrimidine-5-carboxamide
SMILESO=C(NCC(CO)Cc1cccs1)c1cnc(C2CC2)nc1
InChIInChI=1S/C16H19N3O2S/c20-10-11(6-14-2-1-5-22-14)7-19-16(21)13-8-17-15(18-9-13)12-3-4-12/h1-2,5,8-9,11-12,20H,3-4,6-7,10H2,(H,19,21)
InChIKeyHCEKCPWCAMTJGR-UHFFFAOYSA-N
XLogP2.00
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-adamantyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]acetamide
CID 97139042
2-(oxan-4-yl)-N'-(thiophene-2-carbonyl)pyrimidine-5-carbohydrazide
CID 166264489
N-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97133856
N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 70749928
N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide
CID 77083262
1-(1,3-dimethylpyrazol-4-yl)-3-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]urea
CID 97434400
1-(1,3-dimethylpyrazol-4-yl)-3-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]urea
CID 97434401
2-N-(2-methyl-3-thiophen-2-ylpropyl)pyridine-2,5-dicarboxamide
CID 119138064
2-(sulfanylmethyl)-3-thiophen-2-ylpropan-1-ol
CID 117246313
8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide
CID 126609807
N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 124844251
2-(dimethylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide
CID 53299092

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]pyrimidine-5-carboxamide (CID 74246897) is 2-cyclopropyl-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]pyrimidine-5-carboxamide is O=C(NCC(CO)Cc1cccs1)c1cnc(C2CC2)nc1.
What is the InChIKey of 2-cyclopropyl-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]pyrimidine-5-carboxamide?
The InChIKey is HCEKCPWCAMTJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-10-11(6-14-2-1-5-22-14)7-19-16(21)13-8-17-15(18-9-13)12-3-4-12/h1-2,5,8-9,11-12,20H,3-4,6-7,10H2,(H,19,21).
What are the key properties of 2-cyclopropyl-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]pyrimidine-5-carboxamide?
2-cyclopropyl-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]pyrimidine-5-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 74246897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).