2-N-(2,6-difluorophenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine

C16H14F2N4O — CID 112915282

IUPAC2-N-(2,6-difluorophenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccco2)nc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C16H14F2N4O/c1-10-8-14(19-9-11-4-3-7-23-11)21-16(20-10)22-15-12(17)5-2-6-13(15)18/h2-8H,9H2,1H3,(H2,19,20,21,22)
InChIKeyAIFBQHZPHOICQL-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.01
Rot. Bonds5

About 2-N-(2,6-difluorophenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine

2-N-(2,6-difluorophenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112915282) has the molecular formula C16H14F2N4O and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-N-(2,6-difluorophenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,6-difluorophenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112915282
Molecular FormulaC16H14F2N4O
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name2-N-(2,6-difluorophenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccco2)nc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C16H14F2N4O/c1-10-8-14(19-9-11-4-3-7-23-11)21-16(20-10)22-15-12(17)5-2-6-13(15)18/h2-8H,9H2,1H3,(H2,19,20,21,22)
InChIKeyAIFBQHZPHOICQL-UHFFFAOYSA-N
XLogP4.01
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(2-fluorophenyl)ethyl]-2-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915304
4-N-(furan-2-ylmethyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112915228
2-N-(2-tert-butylphenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915200
4-N-(furan-2-ylmethyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915116
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112915129
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112915195
1-[3-[[4-(furan-2-ylmethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112915231
2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112915354
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112915130
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112915161
4-N-(5-chloro-2-methylphenyl)-2-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915381
2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936763

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-difluorophenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,6-difluorophenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine (CID 112915282) is 2-N-(2,6-difluorophenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,6-difluorophenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,6-difluorophenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(NCc2ccco2)nc(Nc2c(F)cccc2F)n1.
What is the InChIKey of 2-N-(2,6-difluorophenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is AIFBQHZPHOICQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O/c1-10-8-14(19-9-11-4-3-7-23-11)21-16(20-10)22-15-12(17)5-2-6-13(15)18/h2-8H,9H2,1H3,(H2,19,20,21,22).
What are the key properties of 2-N-(2,6-difluorophenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine?
2-N-(2,6-difluorophenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 316.31 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-difluorophenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112915282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).