2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine

C13H14ClN3O — CID 82303522

IUPAC2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCC(C)Oc1ccc(-c2nccc(N)n2)cc1Cl
InChIInChI=1S/C13H14ClN3O/c1-8(2)18-11-4-3-9(7-10(11)14)13-16-6-5-12(15)17-13/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyWPBFZFIJEXOHCQ-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.17
Rot. Bonds3

About 2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine

2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine (PubChem CID 82303522) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine
PubChem CID82303522
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCC(C)Oc1ccc(-c2nccc(N)n2)cc1Cl
InChIInChI=1S/C13H14ClN3O/c1-8(2)18-11-4-3-9(7-10(11)14)13-16-6-5-12(15)17-13/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyWPBFZFIJEXOHCQ-UHFFFAOYSA-N
XLogP3.17
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine (CID 82303522) is 2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine is CC(C)Oc1ccc(-c2nccc(N)n2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The InChIKey is WPBFZFIJEXOHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-8(2)18-11-4-3-9(7-10(11)14)13-16-6-5-12(15)17-13/h3-8H,1-2H3,(H2,15,16,17).
What are the key properties of 2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine?
2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 82303522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).