6-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide

C19H21N5O2 — CID 109368191

IUPAC6-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(N(C)C)cc2)cc(C(=O)NCc2ccco2)n1
InChIInChI=1S/C19H21N5O2/c1-13-21-17(19(25)20-12-16-5-4-10-26-16)11-18(22-13)23-14-6-8-15(9-7-14)24(2)3/h4-11H,12H2,1-3H3,(H,20,25)(H,21,22,23)
InChIKeyBEOZSQYHJJRMED-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.12
Rot. Bonds6

About 6-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide

6-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109368191) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109368191
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name6-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(N(C)C)cc2)cc(C(=O)NCc2ccco2)n1
InChIInChI=1S/C19H21N5O2/c1-13-21-17(19(25)20-12-16-5-4-10-26-16)11-18(22-13)23-14-6-8-15(9-7-14)24(2)3/h4-11H,12H2,1-3H3,(H,20,25)(H,21,22,23)
InChIKeyBEOZSQYHJJRMED-UHFFFAOYSA-N
XLogP3.12
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.12
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

N-(furan-2-ylmethyl)-2-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109368150
6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368142
6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368165
N-(furan-2-ylmethyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109368133
6-(2-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368156
6-N-[4-(dimethylamino)phenyl]-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097185
N-tert-butyl-6-[4-(dimethylamino)anilino]-2-methylpyrimidine-4-carboxamide
CID 109373851
6-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371990
N-(furan-2-ylmethyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362707
N-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367930
N-[4-(dimethylamino)phenyl]-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850558
N-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109361756

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide (CID 109368191) is 6-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2ccc(N(C)C)cc2)cc(C(=O)NCc2ccco2)n1.
What is the InChIKey of 6-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is BEOZSQYHJJRMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-21-17(19(25)20-12-16-5-4-10-26-16)11-18(22-13)23-14-6-8-15(9-7-14)24(2)3/h4-11H,12H2,1-3H3,(H,20,25)(H,21,22,23).
What are the key properties of 6-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide?
6-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109368191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).