2-N-(3,4-difluorophenyl)-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine

C15H12F2N4O — CID 112889271

IUPAC2-N-(3,4-difluorophenyl)-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESFc1ccc(Nc2nccc(NCc3ccco3)n2)cc1F
InChIInChI=1S/C15H12F2N4O/c16-12-4-3-10(8-13(12)17)20-15-18-6-5-14(21-15)19-9-11-2-1-7-22-11/h1-8H,9H2,(H2,18,19,20,21)
InChIKeyUMBOYQABMCJXIG-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.70
Rot. Bonds5

About 2-N-(3,4-difluorophenyl)-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine

2-N-(3,4-difluorophenyl)-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112889271) has the molecular formula C15H12F2N4O and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-N-(3,4-difluorophenyl)-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-difluorophenyl)-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112889271
Molecular FormulaC15H12F2N4O
Molecular Weight302.28 g/mol
Exact Mass302.10
IUPAC Name2-N-(3,4-difluorophenyl)-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESFc1ccc(Nc2nccc(NCc3ccco3)n2)cc1F
InChIInChI=1S/C15H12F2N4O/c16-12-4-3-10(8-13(12)17)20-15-18-6-5-14(21-15)19-9-11-2-1-7-22-11/h1-8H,9H2,(H2,18,19,20,21)
InChIKeyUMBOYQABMCJXIG-UHFFFAOYSA-N
XLogP3.70
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3-chloro-4-fluorophenyl)-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889200
N-[4-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112889223
1-[3-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112889220
2-[[2-(3,4-difluoroanilino)pyrimidin-4-yl]amino]ethanol
CID 134158221
2-N-(3,4-difluorophenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883331
2-N-[(4-fluorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889108
4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889273
4-N-(4-tert-butylphenyl)-2-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112903406
4-N-(furan-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112889206
2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134140226
4-(3,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209444
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-difluorophenyl)-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,4-difluorophenyl)-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine (CID 112889271) is 2-N-(3,4-difluorophenyl)-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-difluorophenyl)-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-difluorophenyl)-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine is Fc1ccc(Nc2nccc(NCc3ccco3)n2)cc1F.
What is the InChIKey of 2-N-(3,4-difluorophenyl)-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is UMBOYQABMCJXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O/c16-12-4-3-10(8-13(12)17)20-15-18-6-5-14(21-15)19-9-11-2-1-7-22-11/h1-8H,9H2,(H2,18,19,20,21).
What are the key properties of 2-N-(3,4-difluorophenyl)-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
2-N-(3,4-difluorophenyl)-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 302.28 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-difluorophenyl)-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112889271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).