[5-[(5-chloro-3-pyridinyl)oxy]-2-propan-2-ylpyrimidin-4-yl]methanamine

C13H15ClN4O — CID 64600452

IUPAC[5-[(5-chloro-3-pyridinyl)oxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCC(C)c1ncc(Oc2cncc(Cl)c2)c(CN)n1
InChIInChI=1S/C13H15ClN4O/c1-8(2)13-17-7-12(11(4-15)18-13)19-10-3-9(14)5-16-6-10/h3,5-8H,4,15H2,1-2H3
InChIKeyTZQILVWANLZDFF-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.90
Rot. Bonds4

About [5-[(5-chloro-3-pyridinyl)oxy]-2-propan-2-ylpyrimidin-4-yl]methanamine

[5-[(5-chloro-3-pyridinyl)oxy]-2-propan-2-ylpyrimidin-4-yl]methanamine (PubChem CID 64600452) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is [5-[(5-chloro-3-pyridinyl)oxy]-2-propan-2-ylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[5-[(5-chloro-3-pyridinyl)oxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
PubChem CID64600452
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name[5-[(5-chloro-3-pyridinyl)oxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCC(C)c1ncc(Oc2cncc(Cl)c2)c(CN)n1
InChIInChI=1S/C13H15ClN4O/c1-8(2)13-17-7-12(11(4-15)18-13)19-10-3-9(14)5-16-6-10/h3,5-8H,4,15H2,1-2H3
InChIKeyTZQILVWANLZDFF-UHFFFAOYSA-N
XLogP2.90
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(5-chloro-3-pyridinyl)oxy]-2-propan-2-ylpyrimidin-4-yl]methanamine?
The IUPAC name of [5-[(5-chloro-3-pyridinyl)oxy]-2-propan-2-ylpyrimidin-4-yl]methanamine (CID 64600452) is [5-[(5-chloro-3-pyridinyl)oxy]-2-propan-2-ylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [5-[(5-chloro-3-pyridinyl)oxy]-2-propan-2-ylpyrimidin-4-yl]methanamine?
The canonical SMILES for [5-[(5-chloro-3-pyridinyl)oxy]-2-propan-2-ylpyrimidin-4-yl]methanamine is CC(C)c1ncc(Oc2cncc(Cl)c2)c(CN)n1.
What is the InChIKey of [5-[(5-chloro-3-pyridinyl)oxy]-2-propan-2-ylpyrimidin-4-yl]methanamine?
The InChIKey is TZQILVWANLZDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-8(2)13-17-7-12(11(4-15)18-13)19-10-3-9(14)5-16-6-10/h3,5-8H,4,15H2,1-2H3.
What are the key properties of [5-[(5-chloro-3-pyridinyl)oxy]-2-propan-2-ylpyrimidin-4-yl]methanamine?
[5-[(5-chloro-3-pyridinyl)oxy]-2-propan-2-ylpyrimidin-4-yl]methanamine has a molecular weight of 278.74 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-chloro-3-pyridinyl)oxy]-2-propan-2-ylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 64600452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).