2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide

C16H14N4O2 — CID 109303311

IUPAC2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1)c1ccnc(NCc2ccco2)n1
InChIInChI=1S/C16H14N4O2/c21-15(19-12-5-2-1-3-6-12)14-8-9-17-16(20-14)18-11-13-7-4-10-22-13/h1-10H,11H2,(H,19,21)(H,17,18,20)
InChIKeyJAJUIAWFQQZHRX-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.93
Rot. Bonds5

About 2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide

2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109303311) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
PubChem CID109303311
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1)c1ccnc(NCc2ccco2)n1
InChIInChI=1S/C16H14N4O2/c21-15(19-12-5-2-1-3-6-12)14-8-9-17-16(20-14)18-11-13-7-4-10-22-13/h1-10H,11H2,(H,19,21)(H,17,18,20)
InChIKeyJAJUIAWFQQZHRX-UHFFFAOYSA-N
XLogP2.93
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109303381
N-[4-(diethylamino)phenyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303374
N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303247
2-(benzylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303645
2-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109303361
N-(2,3-dichlorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303404
N-cyclopropyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109295735
N-(2,4-difluorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303393
6-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109346189
2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109306366
2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109303262
N-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109301857

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide (CID 109303311) is 2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide is O=C(Nc1ccccc1)c1ccnc(NCc2ccco2)n1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is JAJUIAWFQQZHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-15(19-12-5-2-1-3-6-12)14-8-9-17-16(20-14)18-11-13-7-4-10-22-13/h1-10H,11H2,(H,19,21)(H,17,18,20).
What are the key properties of 2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide?
2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109303311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).