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

C18H20N4O — CID 112932522

IUPAC4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(NCc2ccco2)cc(-c2ccccc2)n1
InChIInChI=1S/C18H20N4O/c1-2-10-19-18-21-16(14-7-4-3-5-8-14)12-17(22-18)20-13-15-9-6-11-23-15/h3-9,11-12H,2,10,13H2,1H3,(H2,19,20,21,22)
InChIKeyAHAVMPXNZSXSII-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.17
Rot. Bonds7

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

4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 112932522) 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-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID112932522
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(NCc2ccco2)cc(-c2ccccc2)n1
InChIInChI=1S/C18H20N4O/c1-2-10-19-18-21-16(14-7-4-3-5-8-14)12-17(22-18)20-13-15-9-6-11-23-15/h3-9,11-12H,2,10,13H2,1H3,(H2,19,20,21,22)
InChIKeyAHAVMPXNZSXSII-UHFFFAOYSA-N
XLogP4.17
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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

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Related Compounds

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-propan-2-ylpyrimidine-2,4-diamine
CID 112932798
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-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112936733
4-N-[3-(dimethylamino)propyl]-2-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936076
2-N-(4-chlorophenyl)-4-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936767
2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936763
N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine
CID 3314360
6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112879724
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112915130
2-(furan-2-yl)-6-phenyl-N-propylpyrimidin-4-amine
CID 63485214
2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine
CID 112932435

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine (CID 112932522) is 4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(NCc2ccco2)cc(-c2ccccc2)n1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is AHAVMPXNZSXSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-10-19-18-21-16(14-7-4-3-5-8-14)12-17(22-18)20-13-15-9-6-11-23-15/h3-9,11-12H,2,10,13H2,1H3,(H2,19,20,21,22).
What are the key properties of 4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine?
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 308.38 g/mol, XLogP of 4.17, 7 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-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 112932522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).