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

C16H14F2N4O — CID 112871462

IUPAC4-N-(2,4-difluorophenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(NCc2ccco2)cc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C16H14F2N4O/c1-10-20-15(19-9-12-3-2-6-23-12)8-16(21-10)22-14-5-4-11(17)7-13(14)18/h2-8H,9H2,1H3,(H2,19,20,21,22)
InChIKeyRIBFXGGZKYNVIF-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.01
Rot. Bonds5

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

4-N-(2,4-difluorophenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112871462) has the molecular formula C16H14F2N4O and a molecular weight of 316.31 g/mol. Its IUPAC name is 4-N-(2,4-difluorophenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,4-difluorophenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112871462
Molecular FormulaC16H14F2N4O
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name4-N-(2,4-difluorophenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(NCc2ccco2)cc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C16H14F2N4O/c1-10-20-15(19-9-12-3-2-6-23-12)8-16(21-10)22-14-5-4-11(17)7-13(14)18/h2-8H,9H2,1H3,(H2,19,20,21,22)
InChIKeyRIBFXGGZKYNVIF-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-ethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871392
4-N-(2,6-dimethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871390
4-N-(2,4-difluorophenyl)-2-methyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112873789
6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112871420
4-N-(2,4-difluorophenyl)-6-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112875018
4-N-(2-fluorophenyl)-6-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872510
4-N-(2-ethyl-6-methylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871395
6-N-(furan-2-ylmethyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112871463
4-N-(1,3-benzodioxol-5-yl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871457
N-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367930
N-(2-fluorophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368005
6-(2-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368156

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-difluorophenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,4-difluorophenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine (CID 112871462) is 4-N-(2,4-difluorophenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,4-difluorophenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,4-difluorophenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine is Cc1nc(NCc2ccco2)cc(Nc2ccc(F)cc2F)n1.
What is the InChIKey of 4-N-(2,4-difluorophenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is RIBFXGGZKYNVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O/c1-10-20-15(19-9-12-3-2-6-23-12)8-16(21-10)22-14-5-4-11(17)7-13(14)18/h2-8H,9H2,1H3,(H2,19,20,21,22).
What are the key properties of 4-N-(2,4-difluorophenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine?
4-N-(2,4-difluorophenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-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 4-N-(2,4-difluorophenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112871462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).