4-N-butyl-2-N-tert-butyl-6-phenylpyrimidine-2,4-diamine

C18H26N4 — CID 112933581

IUPAC4-N-butyl-2-N-tert-butyl-6-phenylpyrimidine-2,4-diamine
SMILESCCCCNc1cc(-c2ccccc2)nc(NC(C)(C)C)n1
InChIInChI=1S/C18H26N4/c1-5-6-12-19-16-13-15(14-10-8-7-9-11-14)20-17(21-16)22-18(2,3)4/h7-11,13H,5-6,12H2,1-4H3,(H2,19,20,21,22)
InChIKeyDDHLFCNDEKOVNF-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.57
Rot. Bonds6

About 4-N-butyl-2-N-tert-butyl-6-phenylpyrimidine-2,4-diamine

4-N-butyl-2-N-tert-butyl-6-phenylpyrimidine-2,4-diamine (PubChem CID 112933581) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-N-butyl-2-N-tert-butyl-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-2-N-tert-butyl-6-phenylpyrimidine-2,4-diamine
PubChem CID112933581
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name4-N-butyl-2-N-tert-butyl-6-phenylpyrimidine-2,4-diamine
SMILESCCCCNc1cc(-c2ccccc2)nc(NC(C)(C)C)n1
InChIInChI=1S/C18H26N4/c1-5-6-12-19-16-13-15(14-10-8-7-9-11-14)20-17(21-16)22-18(2,3)4/h7-11,13H,5-6,12H2,1-4H3,(H2,19,20,21,22)
InChIKeyDDHLFCNDEKOVNF-UHFFFAOYSA-N
XLogP4.57
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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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Launch Full Analysis

Related Compounds

4-N-butyl-2-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112933559
4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine
CID 112933540
2-N-tert-butyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937847
2-N,4-N-dibutyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112933584
2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine
CID 112932435
2-N-benzyl-4-N-butyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112933555
4-[[2-(butylamino)-6-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112933699
6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769168
2-N-(4-tert-butylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935198
N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934269
N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112933620
6-phenyl-N,2-dipropylpyrimidin-4-amine
CID 55193281

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-tert-butyl-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-2-N-tert-butyl-6-phenylpyrimidine-2,4-diamine (CID 112933581) is 4-N-butyl-2-N-tert-butyl-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-2-N-tert-butyl-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-2-N-tert-butyl-6-phenylpyrimidine-2,4-diamine is CCCCNc1cc(-c2ccccc2)nc(NC(C)(C)C)n1.
What is the InChIKey of 4-N-butyl-2-N-tert-butyl-6-phenylpyrimidine-2,4-diamine?
The InChIKey is DDHLFCNDEKOVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-5-6-12-19-16-13-15(14-10-8-7-9-11-14)20-17(21-16)22-18(2,3)4/h7-11,13H,5-6,12H2,1-4H3,(H2,19,20,21,22).
What are the key properties of 4-N-butyl-2-N-tert-butyl-6-phenylpyrimidine-2,4-diamine?
4-N-butyl-2-N-tert-butyl-6-phenylpyrimidine-2,4-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-tert-butyl-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112933581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).