5-(4-tert-butylphenyl)pyrimidin-4-amine

C14H17N3 — CID 71449800

IUPAC5-(4-tert-butylphenyl)pyrimidin-4-amine
SMILESCC(C)(C)c1ccc(-c2cncnc2N)cc1
InChIInChI=1S/C14H17N3/c1-14(2,3)11-6-4-10(5-7-11)12-8-16-9-17-13(12)15/h4-9H,1-3H3,(H2,15,16,17)
InChIKeyXKZHXHNDCNXYCJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.02
Rot. Bonds1

About 5-(4-tert-butylphenyl)pyrimidin-4-amine

5-(4-tert-butylphenyl)pyrimidin-4-amine (PubChem CID 71449800) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)pyrimidin-4-amine
PubChem CID71449800
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name5-(4-tert-butylphenyl)pyrimidin-4-amine
SMILESCC(C)(C)c1ccc(-c2cncnc2N)cc1
InChIInChI=1S/C14H17N3/c1-14(2,3)11-6-4-10(5-7-11)12-8-16-9-17-13(12)15/h4-9H,1-3H3,(H2,15,16,17)
InChIKeyXKZHXHNDCNXYCJ-UHFFFAOYSA-N
XLogP3.02
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Phenylpyrimidine
CID 18923
Pyrimidine, 5-(p-chlorophenyl)-2,4-diamino-
CID 204821
2-Amino-4-phenylpyrimidine
CID 598777
5-Phenyl-2,4-pyrimidinediamine
CID 134761
5-(4-Chlorophenyl)-4-pyrimidinamine
CID 2735804
5-(Phenylethynyl)pyrimidine
CID 4074142
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
4-(4-Phenylphenyl)pyrimidine
CID 817541
5-((3-(Trifluoromethyl)phenyl)methyl)-2,4-pyrimidinediamine
CID 579834
5-(4-Tert-butylphenyl)-6-ethylpyrimidine-2,4-diamine
CID 10945514
4-[2-(4-Carbamimidoylphenyl)pyrimidin-5-yl]benzenecarboximidamide
CID 11849619
5-[4-(2-Carbamimidoylpyrimidin-5-yl)phenyl]pyrimidine-2-carboximidamide
CID 24752324

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-(4-tert-butylphenyl)pyrimidin-4-amine (CID 71449800) is 5-(4-tert-butylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(4-tert-butylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-(4-tert-butylphenyl)pyrimidin-4-amine is CC(C)(C)c1ccc(-c2cncnc2N)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)pyrimidin-4-amine?
The InChIKey is XKZHXHNDCNXYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-14(2,3)11-6-4-10(5-7-11)12-8-16-9-17-13(12)15/h4-9H,1-3H3,(H2,15,16,17).
What are the key properties of 5-(4-tert-butylphenyl)pyrimidin-4-amine?
5-(4-tert-butylphenyl)pyrimidin-4-amine has a molecular weight of 227.31 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 71449800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).