4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine

C18H20N4O — CID 112932798

IUPAC4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1nc(NCc2ccco2)cc(-c2ccccc2)n1
InChIInChI=1S/C18H20N4O/c1-13(2)20-18-21-16(14-7-4-3-5-8-14)11-17(22-18)19-12-15-9-6-10-23-15/h3-11,13H,12H2,1-2H3,(H2,19,20,21,22)
InChIKeyPYOQGWQQXCYSFE-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.17
Rot. Bonds6

About 4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine

4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 112932798) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID112932798
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1nc(NCc2ccco2)cc(-c2ccccc2)n1
InChIInChI=1S/C18H20N4O/c1-13(2)20-18-21-16(14-7-4-3-5-8-14)11-17(22-18)19-12-15-9-6-10-23-15/h3-11,13H,12H2,1-2H3,(H2,19,20,21,22)
InChIKeyPYOQGWQQXCYSFE-UHFFFAOYSA-N
XLogP4.17
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(furan-2-ylmethyl)-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933719
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932522
2-N-[3-(dimethylamino)propyl]-4-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936163
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112936733
2-N-(4-chlorophenyl)-4-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936767
4-N-[3-(dimethylamino)propyl]-2-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936076
2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936763
4-N-[(4-methoxyphenyl)methyl]-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932810
4-N-(2-methoxyethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932787
2-N-(1,1-dioxothiolan-3-yl)-4-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936741
N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine
CID 3314360
N-(furan-2-ylmethyl)-2-methyl-6-pyridin-4-ylpyrimidin-4-amine
CID 3657838

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine (CID 112932798) is 4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine is CC(C)Nc1nc(NCc2ccco2)cc(-c2ccccc2)n1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is PYOQGWQQXCYSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13(2)20-18-21-16(14-7-4-3-5-8-14)11-17(22-18)19-12-15-9-6-10-23-15/h3-11,13H,12H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 308.38 g/mol, XLogP of 4.17, 6 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)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112932798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).