2-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide

C19H20N4O3 — CID 109255066

IUPAC2-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnc(NCc3ccco3)nc2)cc1
InChIInChI=1S/C19H20N4O3/c1-25-16-6-4-14(5-7-16)8-9-20-18(24)15-11-21-19(22-12-15)23-13-17-3-2-10-26-17/h2-7,10-12H,8-9,13H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyGZIQOHHGBXDCPU-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.66
Rot. Bonds8

About 2-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide

2-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide (PubChem CID 109255066) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
PubChem CID109255066
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnc(NCc3ccco3)nc2)cc1
InChIInChI=1S/C19H20N4O3/c1-25-16-6-4-14(5-7-16)8-9-20-18(24)15-11-21-19(22-12-15)23-13-17-3-2-10-26-17/h2-7,10-12H,8-9,13H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyGZIQOHHGBXDCPU-UHFFFAOYSA-N
XLogP2.66
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109231482
5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109279490
2-(2-methoxyethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109251519
N-[2-(2-fluorophenyl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255062
6-N-(furan-2-ylmethyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide
CID 109097100
N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248063
2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 109258095
N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109251021
6-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 27548743
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109254883
N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959722
N-[2-(furan-2-yl)ethyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 74233042

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide (CID 109255066) is 2-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide is COc1ccc(CCNC(=O)c2cnc(NCc3ccco3)nc2)cc1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is GZIQOHHGBXDCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-25-16-6-4-14(5-7-16)8-9-20-18(24)15-11-21-19(22-12-15)23-13-17-3-2-10-26-17/h2-7,10-12H,8-9,13H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
2-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109255066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).