2-(furan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide

C22H18N4O3 — CID 109303381

IUPAC2-(furan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1ccnc(NCc2ccco2)n1
InChIInChI=1S/C22H18N4O3/c27-21(20-12-13-23-22(26-20)24-15-19-7-4-14-28-19)25-16-8-10-18(11-9-16)29-17-5-2-1-3-6-17/h1-14H,15H2,(H,25,27)(H,23,24,26)
InChIKeyDFWPCHIDJBNWOI-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.73
Rot. Bonds7

About 2-(furan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide

2-(furan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109303381) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109303381
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name2-(furan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1ccnc(NCc2ccco2)n1
InChIInChI=1S/C22H18N4O3/c27-21(20-12-13-23-22(26-20)24-15-19-7-4-14-28-19)25-16-8-10-18(11-9-16)29-17-5-2-1-3-6-17/h1-14H,15H2,(H,25,27)(H,23,24,26)
InChIKeyDFWPCHIDJBNWOI-UHFFFAOYSA-N
XLogP4.73
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303311
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-(cyclopentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109297996
2-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109303361
2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109306366
2-(benzylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303645
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-(furan-2-ylmethyl)-N'-(4-phenoxyphenyl)propanediamide
CID 108945159
N-(2,4-difluorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303393
N-benzyl-2-(4-phenoxyanilino)pyrimidine-4-carboxamide
CID 109303869

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(furan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide (CID 109303381) is 2-(furan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(furan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccnc(NCc2ccco2)n1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is DFWPCHIDJBNWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c27-21(20-12-13-23-22(26-20)24-15-19-7-4-14-28-19)25-16-8-10-18(11-9-16)29-17-5-2-1-3-6-17/h1-14H,15H2,(H,25,27)(H,23,24,26).
What are the key properties of 2-(furan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide?
2-(furan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109303381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).