2-N-tert-butyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine

C16H22N4 — CID 112924762

IUPAC2-N-tert-butyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1cccc(Nc2cc(C)nc(NC(C)(C)C)n2)c1
InChIInChI=1S/C16H22N4/c1-11-7-6-8-13(9-11)18-14-10-12(2)17-15(19-14)20-16(3,4)5/h6-10H,1-5H3,(H2,17,18,19,20)
InChIKeyUCTCWSMSLKYUIZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.05
Rot. Bonds3

About 2-N-tert-butyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine

2-N-tert-butyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112924762) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-N-tert-butyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112924762
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-N-tert-butyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1cccc(Nc2cc(C)nc(NC(C)(C)C)n2)c1
InChIInChI=1S/C16H22N4/c1-11-7-6-8-13(9-11)18-14-10-12(2)17-15(19-14)20-16(3,4)5/h6-10H,1-5H3,(H2,17,18,19,20)
InChIKeyUCTCWSMSLKYUIZ-UHFFFAOYSA-N
XLogP4.05
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-tert-butyl-6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112924811
6-methyl-4-N-(3-methylphenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927157
2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112915689
2-N-tert-butyl-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916103
4-N-(3-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927268
2-N-(4-bromo-3-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927219
4-N-(2-bromophenyl)-2-N-tert-butyl-6-methylpyrimidine-2,4-diamine
CID 112924833
2-N-[3-(dimethylamino)propyl]-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112913671
6-methyl-4-N-(3-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924413
6-methyl-4-N-(3-methylphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112927170
2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112924846
2-N-tert-butyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112924784

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine (CID 112924762) is 2-N-tert-butyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine is Cc1cccc(Nc2cc(C)nc(NC(C)(C)C)n2)c1.
What is the InChIKey of 2-N-tert-butyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is UCTCWSMSLKYUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11-7-6-8-13(9-11)18-14-10-12(2)17-15(19-14)20-16(3,4)5/h6-10H,1-5H3,(H2,17,18,19,20).
What are the key properties of 2-N-tert-butyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
2-N-tert-butyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112924762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).