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

C25H40N4 — CID 58693152

IUPAC4-N-dodecyl-2-N-phenyl-6-propylpyrimidine-2,4-diamine
SMILESCCCCCCCCCCCCNc1cc(CCC)nc(Nc2ccccc2)n1
InChIInChI=1S/C25H40N4/c1-3-5-6-7-8-9-10-11-12-16-20-26-24-21-23(17-4-2)28-25(29-24)27-22-18-14-13-15-19-22/h13-15,18-19,21H,3-12,16-17,20H2,1-2H3,(H2,26,27,28,29)
InChIKeyGIGFQAPJNGRRNZ-UHFFFAOYSA-N
MW396.62 g/mol
LogP7.51
Rot. Bonds16

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

4-N-dodecyl-2-N-phenyl-6-propylpyrimidine-2,4-diamine (PubChem CID 58693152) has the molecular formula C25H40N4 and a molecular weight of 396.62 g/mol. Its IUPAC name is 4-N-dodecyl-2-N-phenyl-6-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-dodecyl-2-N-phenyl-6-propylpyrimidine-2,4-diamine
PubChem CID58693152
Molecular FormulaC25H40N4
Molecular Weight396.62 g/mol
Exact Mass396.33
IUPAC Name4-N-dodecyl-2-N-phenyl-6-propylpyrimidine-2,4-diamine
SMILESCCCCCCCCCCCCNc1cc(CCC)nc(Nc2ccccc2)n1
InChIInChI=1S/C25H40N4/c1-3-5-6-7-8-9-10-11-12-16-20-26-24-21-23(17-4-2)28-25(29-24)27-22-18-14-13-15-19-22/h13-15,18-19,21H,3-12,16-17,20H2,1-2H3,(H2,26,27,28,29)
InChIKeyGIGFQAPJNGRRNZ-UHFFFAOYSA-N
XLogP7.51
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.62
LogP ≤ 57.51
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

2-methyl-6-N-pentyl-4-N-phenylpyrimidine-4,6-diamine
CID 112876247
2-chloro-N-octyl-6-propylpyrimidin-4-amine
CID 82460778
6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine
CID 112925484
6-butyl-4-N-ethyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 44526612
4-methoxy-N-phenyl-6-propylpyrimidin-2-amine
CID 15615508
2-N-(4-anilinophenyl)-4-N-hexadecyl-1,3,5-triazine-2,4,6-triamine
CID 110189277
6-N-[5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]pentyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 20775300
2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112915678
N-nonadecylaniline
CID 54509054
6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924404
N-heptylaniline;hydrate
CID 174886464
4-N-butyl-2-N-tert-butyl-6-phenylpyrimidine-2,4-diamine
CID 112933581

Frequently Asked Questions

What is the IUPAC name of 4-N-dodecyl-2-N-phenyl-6-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-dodecyl-2-N-phenyl-6-propylpyrimidine-2,4-diamine (CID 58693152) is 4-N-dodecyl-2-N-phenyl-6-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-dodecyl-2-N-phenyl-6-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-dodecyl-2-N-phenyl-6-propylpyrimidine-2,4-diamine is CCCCCCCCCCCCNc1cc(CCC)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-N-dodecyl-2-N-phenyl-6-propylpyrimidine-2,4-diamine?
The InChIKey is GIGFQAPJNGRRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4/c1-3-5-6-7-8-9-10-11-12-16-20-26-24-21-23(17-4-2)28-25(29-24)27-22-18-14-13-15-19-22/h13-15,18-19,21H,3-12,16-17,20H2,1-2H3,(H2,26,27,28,29).
What are the key properties of 4-N-dodecyl-2-N-phenyl-6-propylpyrimidine-2,4-diamine?
4-N-dodecyl-2-N-phenyl-6-propylpyrimidine-2,4-diamine has a molecular weight of 396.62 g/mol, XLogP of 7.51, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-dodecyl-2-N-phenyl-6-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 58693152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).