4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine

C18H26N4 — CID 112879234

IUPAC4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCCCNc1cc(NCCC)nc(-c2ccccc2)n1
InChIInChI=1S/C18H26N4/c1-3-5-9-13-20-17-14-16(19-12-4-2)21-18(22-17)15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H2,19,20,21,22)
InChIKeyFTEMBJOAUMHCPS-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.57
Rot. Bonds9

About 4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine

4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 112879234) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID112879234
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCCCNc1cc(NCCC)nc(-c2ccccc2)n1
InChIInChI=1S/C18H26N4/c1-3-5-9-13-20-17-14-16(19-12-4-2)21-18(22-17)15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H2,19,20,21,22)
InChIKeyFTEMBJOAUMHCPS-UHFFFAOYSA-N
XLogP4.57
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-6-methyl-2-(4-phenylphenyl)pyrimidin-4-amine
CID 59340782
4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879191
6-ethyl-2-phenyl-N-propylpyrimidin-4-amine
CID 62192699
4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879169
4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879173
4-N-(2-methylphenyl)-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879241
2-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 115915242
4-N,4-N-diethyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879230
4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879209
6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112879724
6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112879729
2-[2-phenyl-6-(propylamino)pyrimidin-4-yl]oxyethanol
CID 115915860

Frequently Asked Questions

What is the IUPAC name of 4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine (CID 112879234) is 4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine is CCCCCNc1cc(NCCC)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is FTEMBJOAUMHCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-3-5-9-13-20-17-14-16(19-12-4-2)21-18(22-17)15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine?
4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 112879234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).