N-(4-fluorophenyl)-6-(thiophen-3-ylmethylamino)pyrimidine-4-carboxamide

C16H13FN4OS — CID 68553648

IUPACN-(4-fluorophenyl)-6-(thiophen-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(NCc2ccsc2)ncn1
InChIInChI=1S/C16H13FN4OS/c17-12-1-3-13(4-2-12)21-16(22)14-7-15(20-10-19-14)18-8-11-5-6-23-9-11/h1-7,9-10H,8H2,(H,21,22)(H,18,19,20)
InChIKeyIZNIEOIVQPZKRC-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.54
Rot. Bonds5

About N-(4-fluorophenyl)-6-(thiophen-3-ylmethylamino)pyrimidine-4-carboxamide

N-(4-fluorophenyl)-6-(thiophen-3-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 68553648) has the molecular formula C16H13FN4OS and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-(thiophen-3-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-(thiophen-3-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID68553648
Molecular FormulaC16H13FN4OS
Molecular Weight328.37 g/mol
Exact Mass328.08
IUPAC NameN-(4-fluorophenyl)-6-(thiophen-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(NCc2ccsc2)ncn1
InChIInChI=1S/C16H13FN4OS/c17-12-1-3-13(4-2-12)21-16(22)14-7-15(20-10-19-14)18-8-11-5-6-23-9-11/h1-7,9-10H,8H2,(H,21,22)(H,18,19,20)
InChIKeyIZNIEOIVQPZKRC-UHFFFAOYSA-N
XLogP3.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348320
6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109348330
6-(ethylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 46179338
6-[(2-chlorophenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109348543
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348354
6-(tert-butylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109353761
N-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353538
6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357328
6-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109350226
6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109348697
N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350174
N-(4-acetylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347355

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-(thiophen-3-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-(thiophen-3-ylmethylamino)pyrimidine-4-carboxamide (CID 68553648) is N-(4-fluorophenyl)-6-(thiophen-3-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-(thiophen-3-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-(thiophen-3-ylmethylamino)pyrimidine-4-carboxamide is O=C(Nc1ccc(F)cc1)c1cc(NCc2ccsc2)ncn1.
What is the InChIKey of N-(4-fluorophenyl)-6-(thiophen-3-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is IZNIEOIVQPZKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4OS/c17-12-1-3-13(4-2-12)21-16(22)14-7-15(20-10-19-14)18-8-11-5-6-23-9-11/h1-7,9-10H,8H2,(H,21,22)(H,18,19,20).
What are the key properties of N-(4-fluorophenyl)-6-(thiophen-3-ylmethylamino)pyrimidine-4-carboxamide?
N-(4-fluorophenyl)-6-(thiophen-3-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-(thiophen-3-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 68553648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).