2-(4-tert-butylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide

C21H24N4O2 — CID 109326998

IUPAC2-(4-tert-butylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccco2)nc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C21H24N4O2/c1-14-12-18(19(26)22-13-17-6-5-11-27-17)25-20(23-14)24-16-9-7-15(8-10-16)21(2,3)4/h5-12H,13H2,1-4H3,(H,22,26)(H,23,24,25)
InChIKeyMYYZKINOBUUYAE-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.35
Rot. Bonds5

About 2-(4-tert-butylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide

2-(4-tert-butylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109326998) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(4-tert-butylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-tert-butylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109326998
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-(4-tert-butylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccco2)nc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C21H24N4O2/c1-14-12-18(19(26)22-13-17-6-5-11-27-17)25-20(23-14)24-16-9-7-15(8-10-16)21(2,3)4/h5-12H,13H2,1-4H3,(H,22,26)(H,23,24,25)
InChIKeyMYYZKINOBUUYAE-UHFFFAOYSA-N
XLogP4.35
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109326989
2-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109326984
N-(furan-2-ylmethyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319274
6-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346381
2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109327005
N-(furan-2-ylmethyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109327013
2-(2-chloro-4,6-dimethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109327009
5-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279384
2-(4-tert-butylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333226
2-(cyclopentylamino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109321927
2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334547
2-(furan-2-ylmethylamino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319469

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-tert-butylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide (CID 109326998) is 2-(4-tert-butylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-tert-butylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-tert-butylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2ccco2)nc(Nc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 2-(4-tert-butylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is MYYZKINOBUUYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-12-18(19(26)22-13-17-6-5-11-27-17)25-20(23-14)24-16-9-7-15(8-10-16)21(2,3)4/h5-12H,13H2,1-4H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-(4-tert-butylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide?
2-(4-tert-butylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109326998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).