4-methyl-2-morpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide

C16H20N4O2S — CID 20959640

IUPAC4-methyl-2-morpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
SMILESCc1nc(N2CCOCC2)ncc1C(=O)NCCc1cccs1
InChIInChI=1S/C16H20N4O2S/c1-12-14(15(21)17-5-4-13-3-2-10-23-13)11-18-16(19-12)20-6-8-22-9-7-20/h2-3,10-11H,4-9H2,1H3,(H,17,21)
InChIKeyVRWGJTPTCRLVOR-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.66
Rot. Bonds5

About 4-methyl-2-morpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide

4-methyl-2-morpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide (PubChem CID 20959640) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-methyl-2-morpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-morpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
PubChem CID20959640
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name4-methyl-2-morpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
SMILESCc1nc(N2CCOCC2)ncc1C(=O)NCCc1cccs1
InChIInChI=1S/C16H20N4O2S/c1-12-14(15(21)17-5-4-13-3-2-10-23-13)11-18-16(19-12)20-6-8-22-9-7-20/h2-3,10-11H,4-9H2,1H3,(H,17,21)
InChIKeyVRWGJTPTCRLVOR-UHFFFAOYSA-N
XLogP1.66
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505704
5-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 166277819
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505785
N-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 66505284
2-(1,3-benzoxazol-2-ylamino)-4-methyl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
CID 16584583
2-methyl-6-phenyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 24532142
2,4-dimethyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide
CID 110684821
4-hydrazinyl-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 81256558
N-(3-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504121
2-(4-ethylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide
CID 66505238
4-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 46964047

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-morpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-2-morpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide (CID 20959640) is 4-methyl-2-morpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-morpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-morpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide is Cc1nc(N2CCOCC2)ncc1C(=O)NCCc1cccs1.
What is the InChIKey of 4-methyl-2-morpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide?
The InChIKey is VRWGJTPTCRLVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-12-14(15(21)17-5-4-13-3-2-10-23-13)11-18-16(19-12)20-6-8-22-9-7-20/h2-3,10-11H,4-9H2,1H3,(H,17,21).
What are the key properties of 4-methyl-2-morpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide?
4-methyl-2-morpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-morpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 20959640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).