N-decyl-6-methyl-2-(4-phenylphenyl)pyrimidin-4-amine

C27H35N3 — CID 59340782

IUPACN-decyl-6-methyl-2-(4-phenylphenyl)pyrimidin-4-amine
SMILESCCCCCCCCCCNc1cc(C)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C27H35N3/c1-3-4-5-6-7-8-9-13-20-28-26-21-22(2)29-27(30-26)25-18-16-24(17-19-25)23-14-11-10-12-15-23/h10-12,14-19,21H,3-9,13,20H2,1-2H3,(H,28,29,30)
InChIKeyBWPILTPXIQCDMO-UHFFFAOYSA-N
MW401.60 g/mol
LogP7.67
Rot. Bonds12

About N-decyl-6-methyl-2-(4-phenylphenyl)pyrimidin-4-amine

N-decyl-6-methyl-2-(4-phenylphenyl)pyrimidin-4-amine (PubChem CID 59340782) has the molecular formula C27H35N3 and a molecular weight of 401.60 g/mol. Its IUPAC name is N-decyl-6-methyl-2-(4-phenylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-decyl-6-methyl-2-(4-phenylphenyl)pyrimidin-4-amine
PubChem CID59340782
Molecular FormulaC27H35N3
Molecular Weight401.60 g/mol
Exact Mass401.28
IUPAC NameN-decyl-6-methyl-2-(4-phenylphenyl)pyrimidin-4-amine
SMILESCCCCCCCCCCNc1cc(C)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C27H35N3/c1-3-4-5-6-7-8-9-13-20-28-26-21-22(2)29-27(30-26)25-18-16-24(17-19-25)23-14-11-10-12-15-23/h10-12,14-19,21H,3-9,13,20H2,1-2H3,(H,28,29,30)
InChIKeyBWPILTPXIQCDMO-UHFFFAOYSA-N
XLogP7.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.60
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879234
2-(4-tert-butylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 63485987
N-(2-ethylhexyl)-6-methyl-2-phenylpyrimidin-4-amine
CID 59340643
6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 50957101
2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112915678
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
4-N-decyl-6-methylpyrimidine-2,4-diamine
CID 80855252
6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924404
2-N,6-dimethyl-4-N-pentyl-2-N-phenylpyrimidine-2,4-diamine
CID 112925381
N-hexyl-4,6-dimethylpyridin-2-amine
CID 22105749
N-decyl-4,6-dimethylpyridin-2-amine
CID 151938350
2-heptyl-6-methyl-N-octylpyrimidin-4-amine
CID 58693161

Frequently Asked Questions

What is the IUPAC name of N-decyl-6-methyl-2-(4-phenylphenyl)pyrimidin-4-amine?
The IUPAC name of N-decyl-6-methyl-2-(4-phenylphenyl)pyrimidin-4-amine (CID 59340782) is N-decyl-6-methyl-2-(4-phenylphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-decyl-6-methyl-2-(4-phenylphenyl)pyrimidin-4-amine?
The canonical SMILES for N-decyl-6-methyl-2-(4-phenylphenyl)pyrimidin-4-amine is CCCCCCCCCCNc1cc(C)nc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of N-decyl-6-methyl-2-(4-phenylphenyl)pyrimidin-4-amine?
The InChIKey is BWPILTPXIQCDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3/c1-3-4-5-6-7-8-9-13-20-28-26-21-22(2)29-27(30-26)25-18-16-24(17-19-25)23-14-11-10-12-15-23/h10-12,14-19,21H,3-9,13,20H2,1-2H3,(H,28,29,30).
What are the key properties of N-decyl-6-methyl-2-(4-phenylphenyl)pyrimidin-4-amine?
N-decyl-6-methyl-2-(4-phenylphenyl)pyrimidin-4-amine has a molecular weight of 401.60 g/mol, XLogP of 7.67, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-6-methyl-2-(4-phenylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 59340782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).