6-(4-tert-butylphenyl)pyrimidine-2,4-diamine

C14H18N4 — CID 106878479

IUPAC6-(4-tert-butylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)(C)c1ccc(-c2cc(N)nc(N)n2)cc1
InChIInChI=1S/C14H18N4/c1-14(2,3)10-6-4-9(5-7-10)11-8-12(15)18-13(16)17-11/h4-8H,1-3H3,(H4,15,16,17,18)
InChIKeyBDKJOAKRPZOQJW-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.61
Rot. Bonds1

About 6-(4-tert-butylphenyl)pyrimidine-2,4-diamine

6-(4-tert-butylphenyl)pyrimidine-2,4-diamine (PubChem CID 106878479) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)pyrimidine-2,4-diamine
PubChem CID106878479
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name6-(4-tert-butylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)(C)c1ccc(-c2cc(N)nc(N)n2)cc1
InChIInChI=1S/C14H18N4/c1-14(2,3)10-6-4-9(5-7-10)11-8-12(15)18-13(16)17-11/h4-8H,1-3H3,(H4,15,16,17,18)
InChIKeyBDKJOAKRPZOQJW-UHFFFAOYSA-N
XLogP2.61
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine
CID 158829270
6-(4-tert-butylphenyl)-2-ethylpyrimidin-4-amine
CID 80935518
2-amino-6-(4-tert-butylphenyl)pyrimidine-4-carboxylic acid
CID 28799538
2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine
CID 58261754
6-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine
CID 155910091
6-(4-tert-butylphenyl)-4-chloro-3-methylsulfanylpyridin-2-amine
CID 167048367
2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66521037
2-(4-bromophenyl)-4,6-bis(4-tert-butylphenyl)pyrimidine
CID 118642287
4-(4-tert-butylphenyl)-6-chloro-2-methylpyrimidine
CID 22135532
6-(4-tert-butylphenyl)-3-methoxypyridin-2-amine
CID 82556285
6-pyridin-3-ylpyrimidine-2,4-diamine
CID 90189944
2-amino-6-(4-tert-butylphenyl)-4-chloropyridine-3-carboxylic acid
CID 155338252

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(4-tert-butylphenyl)pyrimidine-2,4-diamine (CID 106878479) is 6-(4-tert-butylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-tert-butylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-tert-butylphenyl)pyrimidine-2,4-diamine is CC(C)(C)c1ccc(-c2cc(N)nc(N)n2)cc1.
What is the InChIKey of 6-(4-tert-butylphenyl)pyrimidine-2,4-diamine?
The InChIKey is BDKJOAKRPZOQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-14(2,3)10-6-4-9(5-7-10)11-8-12(15)18-13(16)17-11/h4-8H,1-3H3,(H4,15,16,17,18).
What are the key properties of 6-(4-tert-butylphenyl)pyrimidine-2,4-diamine?
6-(4-tert-butylphenyl)pyrimidine-2,4-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 106878479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).