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

C20H22N4O2 — CID 109346381

IUPAC6-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCC(C)(C)c1ccc(Nc2cc(C(=O)NCc3ccco3)ncn2)cc1
InChIInChI=1S/C20H22N4O2/c1-20(2,3)14-6-8-15(9-7-14)24-18-11-17(22-13-23-18)19(25)21-12-16-5-4-10-26-16/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKeySHSYXHCFBQIVGR-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.04
Rot. Bonds5

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

6-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109346381) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109346381
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name6-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCC(C)(C)c1ccc(Nc2cc(C(=O)NCc3ccco3)ncn2)cc1
InChIInChI=1S/C20H22N4O2/c1-20(2,3)14-6-8-15(9-7-14)24-18-11-17(22-13-23-18)19(25)21-12-16-5-4-10-26-16/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKeySHSYXHCFBQIVGR-UHFFFAOYSA-N
XLogP4.04
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279384
N-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109346404
N-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109346360
6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346391
2-(4-tert-butylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109326998
6-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346387
6-(furan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109346240
6-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346451
6-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346452
6-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346394
6-(4-tert-butylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109343382
6-(4-tert-butylanilino)pyrimidine-4-carboxylic acid
CID 82306129

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109346381) is 6-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide is CC(C)(C)c1ccc(Nc2cc(C(=O)NCc3ccco3)ncn2)cc1.
What is the InChIKey of 6-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is SHSYXHCFBQIVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-20(2,3)14-6-8-15(9-7-14)24-18-11-17(22-13-23-18)19(25)21-12-16-5-4-10-26-16/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,23,24).
What are the key properties of 6-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
6-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).