6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine

C18H26N4 — CID 112855172

IUPAC6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine
SMILESCCCCNc1cc(Nc2ccc(C(C)(C)C)cc2)ncn1
InChIInChI=1S/C18H26N4/c1-5-6-11-19-16-12-17(21-13-20-16)22-15-9-7-14(8-10-15)18(2,3)4/h7-10,12-13H,5-6,11H2,1-4H3,(H2,19,20,21,22)
InChIKeyYYYYETGVIUCDHK-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.73
Rot. Bonds6

About 6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine

6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine (PubChem CID 112855172) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine
PubChem CID112855172
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine
SMILESCCCCNc1cc(Nc2ccc(C(C)(C)C)cc2)ncn1
InChIInChI=1S/C18H26N4/c1-5-6-11-19-16-12-17(21-13-20-16)22-15-9-7-14(8-10-15)18(2,3)4/h7-10,12-13H,5-6,11H2,1-4H3,(H2,19,20,21,22)
InChIKeyYYYYETGVIUCDHK-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
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

6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112855199
6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112855174
4-N-(4-tert-butylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 112857465
6-N-butyl-4-N-(4-tert-butylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867942
6-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112855212
4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864217
6-N-(3-methoxypropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112856959
6-(butylamino)-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide
CID 109339917
4-N,6-N-dihexylpyrimidine-4,6-diamine
CID 2747970
4-N-(4-tert-butylphenyl)-6-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112862603
6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112855188
6-(4-tert-butylanilino)pyrimidine-4-carboxylic acid
CID 82306129

Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine (CID 112855172) is 6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine is CCCCNc1cc(Nc2ccc(C(C)(C)C)cc2)ncn1.
What is the InChIKey of 6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine?
The InChIKey is YYYYETGVIUCDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-5-6-11-19-16-12-17(21-13-20-16)22-15-9-7-14(8-10-15)18(2,3)4/h7-10,12-13H,5-6,11H2,1-4H3,(H2,19,20,21,22).
What are the key properties of 6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine?
6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112855172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).