4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine

C15H14N4O — CID 115915230

IUPAC4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
SMILESNc1cc(NCc2ccco2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H14N4O/c16-13-9-14(17-10-12-7-4-8-20-12)19-15(18-13)11-5-2-1-3-6-11/h1-9H,10H2,(H3,16,17,18,19)
InChIKeyQKXCXTDUFBZFFX-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.93
Rot. Bonds4

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

4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine (PubChem CID 115915230) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
PubChem CID115915230
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
SMILESNc1cc(NCc2ccco2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H14N4O/c16-13-9-14(17-10-12-7-4-8-20-12)19-15(18-13)11-5-2-1-3-6-11/h1-9H,10H2,(H3,16,17,18,19)
InChIKeyQKXCXTDUFBZFFX-UHFFFAOYSA-N
XLogP2.93
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid
CID 82170122
6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112879724
N-(furan-2-ylmethyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
CID 4099468
4-N-cyclohexyl-6-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880164
N-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112880103
4-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 112559773
N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine
CID 3314360
6-(furan-2-ylmethylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851601
6-N-(furan-2-ylmethyl)-2-phenyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112881208
3-[[6-(furan-2-ylmethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112881212
N-[3-[[6-(furan-2-ylmethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112881203
6-(furan-2-ylmethylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112853897

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine (CID 115915230) is 4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine is Nc1cc(NCc2ccco2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine?
The InChIKey is QKXCXTDUFBZFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-13-9-14(17-10-12-7-4-8-20-12)19-15(18-13)11-5-2-1-3-6-11/h1-9H,10H2,(H3,16,17,18,19).
What are the key properties of 4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine?
4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine has a molecular weight of 266.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 115915230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).