N-[4-(diethylamino)phenyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide

C20H23N5O2 — CID 109303374

IUPACN-[4-(diethylamino)phenyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccnc(NCc3ccco3)n2)cc1
InChIInChI=1S/C20H23N5O2/c1-3-25(4-2)16-9-7-15(8-10-16)23-19(26)18-11-12-21-20(24-18)22-14-17-6-5-13-27-17/h5-13H,3-4,14H2,1-2H3,(H,23,26)(H,21,22,24)
InChIKeyHQIHYTOVFOXMPA-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.78
Rot. Bonds8

About N-[4-(diethylamino)phenyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide

N-[4-(diethylamino)phenyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109303374) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109303374
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[4-(diethylamino)phenyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccnc(NCc3ccco3)n2)cc1
InChIInChI=1S/C20H23N5O2/c1-3-25(4-2)16-9-7-15(8-10-16)23-19(26)18-11-12-21-20(24-18)22-14-17-6-5-13-27-17/h5-13H,3-4,14H2,1-2H3,(H,23,26)(H,21,22,24)
InChIKeyHQIHYTOVFOXMPA-UHFFFAOYSA-N
XLogP3.78
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(diethylamino)phenyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303311
2-(furan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109303381
N-[4-(diethylamino)phenyl]-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109315291
N-[4-(diethylamino)phenyl]-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231586
4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046633
2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide
CID 109298731
N-(2,3-dichlorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303404
N-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109301857
2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 1019302
N-cyclopropyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109295735
N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303247
6-N-[4-(dimethylamino)phenyl]-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097185

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109303374) is N-[4-(diethylamino)phenyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccnc(NCc3ccco3)n2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is HQIHYTOVFOXMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-3-25(4-2)16-9-7-15(8-10-16)23-19(26)18-11-12-21-20(24-18)22-14-17-6-5-13-27-17/h5-13H,3-4,14H2,1-2H3,(H,23,26)(H,21,22,24).
What are the key properties of N-[4-(diethylamino)phenyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
N-[4-(diethylamino)phenyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109303374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).