N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide

C18H18N4O2 — CID 109303420

IUPACN-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1ccc(CNc2nccc(C(=O)NCc3ccco3)n2)cc1
InChIInChI=1S/C18H18N4O2/c1-13-4-6-14(7-5-13)11-21-18-19-9-8-16(22-18)17(23)20-12-15-3-2-10-24-15/h2-10H,11-12H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyPTWFXBFIQVRDJY-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.92
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide

N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109303420) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109303420
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1ccc(CNc2nccc(C(=O)NCc3ccco3)n2)cc1
InChIInChI=1S/C18H18N4O2/c1-13-4-6-14(7-5-13)11-21-18-19-9-8-16(22-18)17(23)20-12-15-3-2-10-24-15/h2-10H,11-12H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyPTWFXBFIQVRDJY-UHFFFAOYSA-N
XLogP2.92
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303247
2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109303249
2-[(3,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303450
N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109303470
2-[2-(4-chlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303449
2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301688
2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109303262
2-(2-methoxyethylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109299616
N-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109301857
2-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304602
N-[(4-methylphenyl)methyl]-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109295146
1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
CID 17399631

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide (CID 109303420) is N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide is Cc1ccc(CNc2nccc(C(=O)NCc3ccco3)n2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is PTWFXBFIQVRDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-4-6-14(7-5-13)11-21-18-19-9-8-16(22-18)17(23)20-12-15-3-2-10-24-15/h2-10H,11-12H2,1H3,(H,20,23)(H,19,21,22).
What are the key properties of N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide?
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109303420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).