2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidine-5-carboxamide

C20H22N4O3 — CID 20959670

IUPAC2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidine-5-carboxamide
SMILESCOc1cccc(CNc2ncc(C(=O)NCc3ccc(C)o3)c(C)n2)c1
InChIInChI=1S/C20H22N4O3/c1-13-7-8-17(27-13)11-21-19(25)18-12-23-20(24-14(18)2)22-10-15-5-4-6-16(9-15)26-3/h4-9,12H,10-11H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyKZSHBSWBODUEQB-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.24
Rot. Bonds7

About 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidine-5-carboxamide

2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 20959670) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidine-5-carboxamide
PubChem CID20959670
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidine-5-carboxamide
SMILESCOc1cccc(CNc2ncc(C(=O)NCc3ccc(C)o3)c(C)n2)c1
InChIInChI=1S/C20H22N4O3/c1-13-7-8-17(27-13)11-21-19(25)18-12-23-20(24-14(18)2)22-10-15-5-4-6-16(9-15)26-3/h4-9,12H,10-11H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyKZSHBSWBODUEQB-UHFFFAOYSA-N
XLogP3.24
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959741
N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959722
ethyl 2-[(3-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 20855185
2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 20959676
4-amino-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 81242597
2-fluoro-4-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 102882068
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 124960829
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[(3R)-pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 124960830
2-[(4-methoxyphenyl)methylamino]-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 20959733
N-[(3-methoxyphenyl)methyl]-2-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
CID 129361149
N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255947
2-(benzylamino)-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide
CID 20959702

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidine-5-carboxamide (CID 20959670) is 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidine-5-carboxamide is COc1cccc(CNc2ncc(C(=O)NCc3ccc(C)o3)c(C)n2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is KZSHBSWBODUEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-7-8-17(27-13)11-21-19(25)18-12-23-20(24-14(18)2)22-10-15-5-4-6-16(9-15)26-3/h4-9,12H,10-11H2,1-3H3,(H,21,25)(H,22,23,24).
What are the key properties of 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidine-5-carboxamide?
2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 20959670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).