4-(3-methyl-4-propan-2-ylphenyl)pyrimidin-2-amine

C14H17N3 — CID 134392284

IUPAC4-(3-methyl-4-propan-2-ylphenyl)pyrimidin-2-amine
SMILESCc1cc(-c2ccnc(N)n2)ccc1C(C)C
InChIInChI=1S/C14H17N3/c1-9(2)12-5-4-11(8-10(12)3)13-6-7-16-14(15)17-13/h4-9H,1-3H3,(H2,15,16,17)
InChIKeyOMOVHOMZSKEWJV-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.16
Rot. Bonds2

About 4-(3-methyl-4-propan-2-ylphenyl)pyrimidin-2-amine

4-(3-methyl-4-propan-2-ylphenyl)pyrimidin-2-amine (PubChem CID 134392284) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(3-methyl-4-propan-2-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methyl-4-propan-2-ylphenyl)pyrimidin-2-amine
PubChem CID134392284
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-(3-methyl-4-propan-2-ylphenyl)pyrimidin-2-amine
SMILESCc1cc(-c2ccnc(N)n2)ccc1C(C)C
InChIInChI=1S/C14H17N3/c1-9(2)12-5-4-11(8-10(12)3)13-6-7-16-14(15)17-13/h4-9H,1-3H3,(H2,15,16,17)
InChIKeyOMOVHOMZSKEWJV-UHFFFAOYSA-N
XLogP3.16
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-4-propan-2-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-methyl-4-propan-2-ylphenyl)pyrimidin-2-amine (CID 134392284) is 4-(3-methyl-4-propan-2-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methyl-4-propan-2-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-methyl-4-propan-2-ylphenyl)pyrimidin-2-amine is Cc1cc(-c2ccnc(N)n2)ccc1C(C)C.
What is the InChIKey of 4-(3-methyl-4-propan-2-ylphenyl)pyrimidin-2-amine?
The InChIKey is OMOVHOMZSKEWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-9(2)12-5-4-11(8-10(12)3)13-6-7-16-14(15)17-13/h4-9H,1-3H3,(H2,15,16,17).
What are the key properties of 4-(3-methyl-4-propan-2-ylphenyl)pyrimidin-2-amine?
4-(3-methyl-4-propan-2-ylphenyl)pyrimidin-2-amine has a molecular weight of 227.31 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-4-propan-2-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 134392284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).