4-N-tert-butyl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine

C15H18Cl2N4 — CID 112875999

IUPAC4-N-tert-butyl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2cc(Cl)cc(Cl)c2)cc(NC(C)(C)C)n1
InChIInChI=1S/C15H18Cl2N4/c1-9-18-13(8-14(19-9)21-15(2,3)4)20-12-6-10(16)5-11(17)7-12/h5-8H,1-4H3,(H2,18,19,20,21)
InChIKeyTVIMDPAMMQVRHK-UHFFFAOYSA-N
MW325.24 g/mol
LogP5.05
Rot. Bonds3

About 4-N-tert-butyl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine

4-N-tert-butyl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112875999) has the molecular formula C15H18Cl2N4 and a molecular weight of 325.24 g/mol. Its IUPAC name is 4-N-tert-butyl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112875999
Molecular FormulaC15H18Cl2N4
Molecular Weight325.24 g/mol
Exact Mass324.09
IUPAC Name4-N-tert-butyl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2cc(Cl)cc(Cl)c2)cc(NC(C)(C)C)n1
InChIInChI=1S/C15H18Cl2N4/c1-9-18-13(8-14(19-9)21-15(2,3)4)20-12-6-10(16)5-11(17)7-12/h5-8H,1-4H3,(H2,18,19,20,21)
InChIKeyTVIMDPAMMQVRHK-UHFFFAOYSA-N
XLogP5.05
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.24
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-tert-butyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112875910
4-N-tert-butyl-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112875932
6-N-(3-bromo-4-methylphenyl)-4-N-tert-butyl-2-methylpyrimidine-4,6-diamine
CID 112875945
4-N-tert-butyl-2-methyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112875926
4-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 116701005
4-N-butan-2-yl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112868395
4-N-tert-butyl-6-N-[(4-chlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872702
2-chloro-N-(3,5-dichlorophenyl)-6-methylpyrimidin-4-amine
CID 63548876
6-N-(1,3-benzodioxol-5-yl)-4-N-tert-butyl-2-methylpyrimidine-4,6-diamine
CID 112875985
4-N-tert-butyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112876003
N-(3,5-dichlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868580
4-N-tert-butyl-6-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112875919

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-tert-butyl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine (CID 112875999) is 4-N-tert-butyl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-tert-butyl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-tert-butyl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine is Cc1nc(Nc2cc(Cl)cc(Cl)c2)cc(NC(C)(C)C)n1.
What is the InChIKey of 4-N-tert-butyl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is TVIMDPAMMQVRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4/c1-9-18-13(8-14(19-9)21-15(2,3)4)20-12-6-10(16)5-11(17)7-12/h5-8H,1-4H3,(H2,18,19,20,21).
What are the key properties of 4-N-tert-butyl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine?
4-N-tert-butyl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 325.24 g/mol, XLogP of 5.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112875999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).