N-[4-(diethylamino)-2-methylphenyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide

C21H25N5O2 — CID 109255203

IUPACN-[4-(diethylamino)-2-methylphenyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnc(NCc3ccco3)nc2)c(C)c1
InChIInChI=1S/C21H25N5O2/c1-4-26(5-2)17-8-9-19(15(3)11-17)25-20(27)16-12-22-21(23-13-16)24-14-18-7-6-10-28-18/h6-13H,4-5,14H2,1-3H3,(H,25,27)(H,22,23,24)
InChIKeyJDXCSUFFSLBHJA-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.09
Rot. Bonds8

About N-[4-(diethylamino)-2-methylphenyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide

N-[4-(diethylamino)-2-methylphenyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 109255203) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID109255203
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnc(NCc3ccco3)nc2)c(C)c1
InChIInChI=1S/C21H25N5O2/c1-4-26(5-2)17-8-9-19(15(3)11-17)25-20(27)16-12-22-21(23-13-16)24-14-18-7-6-10-28-18/h6-13H,4-5,14H2,1-3H3,(H,25,27)(H,22,23,24)
InChIKeyJDXCSUFFSLBHJA-UHFFFAOYSA-N
XLogP4.09
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(diethylamino)-2-methylanilino]-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265368
N-[4-(diethylamino)-2-methylphenyl]-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268447
N-[4-(diethylamino)-2-methylphenyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961481
2-[4-(diethylamino)-2-methylanilino]-N-phenylpyrimidine-5-carboxamide
CID 109265163
N-(2-ethoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255149
N-[4-(diethylamino)phenyl]-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231586
N-(4-acetylphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255161
2-(furan-2-ylmethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109255128
6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
CID 109151666
N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248063
N-[4-(diethylamino)phenyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303374
6-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
CID 109152230

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide (CID 109255203) is N-[4-(diethylamino)-2-methylphenyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide is CCN(CC)c1ccc(NC(=O)c2cnc(NCc3ccco3)nc2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is JDXCSUFFSLBHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-4-26(5-2)17-8-9-19(15(3)11-17)25-20(27)16-12-22-21(23-13-16)24-14-18-7-6-10-28-18/h6-13H,4-5,14H2,1-3H3,(H,25,27)(H,22,23,24).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide?
N-[4-(diethylamino)-2-methylphenyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109255203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).