N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide

C18H18N4O3 — CID 109254883

IUPACN-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNc1ncc(C(=O)NCc2ccco2)cn1
InChIInChI=1S/C18H18N4O3/c1-24-16-7-3-2-5-13(16)9-20-18-21-10-14(11-22-18)17(23)19-12-15-6-4-8-25-15/h2-8,10-11H,9,12H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyVWALCSJQZRBNRQ-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.62
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide

N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 109254883) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID109254883
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNc1ncc(C(=O)NCc2ccco2)cn1
InChIInChI=1S/C18H18N4O3/c1-24-16-7-3-2-5-13(16)9-20-18-21-10-14(11-22-18)17(23)19-12-15-6-4-8-25-15/h2-8,10-11H,9,12H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyVWALCSJQZRBNRQ-UHFFFAOYSA-N
XLogP2.62
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(furan-2-ylmethyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085151
2-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248461
N-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109252692
N-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247083
2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109253483
4-(furan-2-ylmethylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109209456
N-[2-(2-fluorophenyl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255062
N-(2-ethoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255149
2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109257016
3-ethyl-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 110761912
2-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109255066
N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248063

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide (CID 109254883) is N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide is COc1ccccc1CNc1ncc(C(=O)NCc2ccco2)cn1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is VWALCSJQZRBNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-24-16-7-3-2-5-13(16)9-20-18-21-10-14(11-22-18)17(23)19-12-15-6-4-8-25-15/h2-8,10-11H,9,12H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.62, 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)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109254883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).