4-N-[3-(dimethylamino)propyl]-2-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine

C20H25N5O — CID 112936076

IUPAC4-N-[3-(dimethylamino)propyl]-2-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
SMILESCN(C)CCCNc1cc(-c2ccccc2)nc(NCc2ccco2)n1
InChIInChI=1S/C20H25N5O/c1-25(2)12-7-11-21-19-14-18(16-8-4-3-5-9-16)23-20(24-19)22-15-17-10-6-13-26-17/h3-6,8-10,13-14H,7,11-12,15H2,1-2H3,(H2,21,22,23,24)
InChIKeyRJXKNJMAOOUEKA-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.71
Rot. Bonds9

About 4-N-[3-(dimethylamino)propyl]-2-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine

4-N-[3-(dimethylamino)propyl]-2-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112936076) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-2-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-2-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112936076
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name4-N-[3-(dimethylamino)propyl]-2-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
SMILESCN(C)CCCNc1cc(-c2ccccc2)nc(NCc2ccco2)n1
InChIInChI=1S/C20H25N5O/c1-25(2)12-7-11-21-19-14-18(16-8-4-3-5-9-16)23-20(24-19)22-15-17-10-6-13-26-17/h3-6,8-10,13-14H,7,11-12,15H2,1-2H3,(H2,21,22,23,24)
InChIKeyRJXKNJMAOOUEKA-UHFFFAOYSA-N
XLogP3.71
TPSA66.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-propylpyrimidine-2,4-diamine
CID 112932522
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-propan-2-ylpyrimidine-2,4-diamine
CID 112932798
2-N-[3-(dimethylamino)propyl]-4-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112936165
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112936733
4-N-cyclopropyl-2-N-[3-(dimethylamino)propyl]-6-phenylpyrimidine-2,4-diamine
CID 112932935
4-N-[3-(dimethylamino)propyl]-2-N-(4-fluorophenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936129
2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936763
2-N-(4-chlorophenyl)-4-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936767
4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936116
4-N-[3-(dimethylamino)propyl]-2-N-(3-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936139

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine (CID 112936076) is 4-N-[3-(dimethylamino)propyl]-2-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-2-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-2-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine is CN(C)CCCNc1cc(-c2ccccc2)nc(NCc2ccco2)n1.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-2-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is RJXKNJMAOOUEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-25(2)12-7-11-21-19-14-18(16-8-4-3-5-9-16)23-20(24-19)22-15-17-10-6-13-26-17/h3-6,8-10,13-14H,7,11-12,15H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-[3-(dimethylamino)propyl]-2-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine?
4-N-[3-(dimethylamino)propyl]-2-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 351.45 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]-2-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112936076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).