N-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide

C19H20N4O3 — CID 109346404

IUPACN-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCC(C)Oc1ccc(Nc2cc(C(=O)NCc3ccco3)ncn2)cc1
InChIInChI=1S/C19H20N4O3/c1-13(2)26-15-7-5-14(6-8-15)23-18-10-17(21-12-22-18)19(24)20-11-16-4-3-9-25-16/h3-10,12-13H,11H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyAXFLRZDKUNLDRU-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.53
Rot. Bonds7

About N-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide

N-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide (PubChem CID 109346404) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
PubChem CID109346404
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCC(C)Oc1ccc(Nc2cc(C(=O)NCc3ccco3)ncn2)cc1
InChIInChI=1S/C19H20N4O3/c1-13(2)26-15-7-5-14(6-8-15)23-18-10-17(21-12-22-18)19(24)20-11-16-4-3-9-25-16/h3-10,12-13H,11H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyAXFLRZDKUNLDRU-UHFFFAOYSA-N
XLogP3.53
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346381
6-N-(furan-2-ylmethyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112858660
N-[(4-methylphenyl)methyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109347466
N-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109346360
2-N-(furan-2-ylmethyl)-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109097171
N-propan-2-yl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109338961
6-(4-propan-2-yloxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339744
6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346391
4-(furan-2-ylmethylamino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109209555
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-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346387

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide (CID 109346404) is N-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide is CC(C)Oc1ccc(Nc2cc(C(=O)NCc3ccco3)ncn2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The InChIKey is AXFLRZDKUNLDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13(2)26-15-7-5-14(6-8-15)23-18-10-17(21-12-22-18)19(24)20-11-16-4-3-9-25-16/h3-10,12-13H,11H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of N-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
N-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).