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

C11H11ClN4O — CID 114217165

IUPAC[4-[(5-chloro-3-pyridinyl)oxy]-2-methylpyrimidin-5-yl]methanamine
SMILESCc1ncc(CN)c(Oc2cncc(Cl)c2)n1
InChIInChI=1S/C11H11ClN4O/c1-7-15-4-8(3-13)11(16-7)17-10-2-9(12)5-14-6-10/h2,4-6H,3,13H2,1H3
InChIKeyMWBKDKGMHWGXKS-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.08
Rot. Bonds3

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

[4-[(5-chloro-3-pyridinyl)oxy]-2-methylpyrimidin-5-yl]methanamine (PubChem CID 114217165) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is [4-[(5-chloro-3-pyridinyl)oxy]-2-methylpyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-[(5-chloro-3-pyridinyl)oxy]-2-methylpyrimidin-5-yl]methanamine
PubChem CID114217165
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name[4-[(5-chloro-3-pyridinyl)oxy]-2-methylpyrimidin-5-yl]methanamine
SMILESCc1ncc(CN)c(Oc2cncc(Cl)c2)n1
InChIInChI=1S/C11H11ClN4O/c1-7-15-4-8(3-13)11(16-7)17-10-2-9(12)5-14-6-10/h2,4-6H,3,13H2,1H3
InChIKeyMWBKDKGMHWGXKS-UHFFFAOYSA-N
XLogP2.08
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(5-chloro-3-pyridinyl)oxy]-N,2,5-trimethylpyrimidin-4-amine
CID 80877684
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102
[5-[(5-chloro-3-pyridinyl)oxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 64600452
[4-[(2-chlorophenyl)methoxy]-2-methylpyrimidin-5-yl]methanamine
CID 114216987
3-chloro-6-[(5-chloro-3-pyridinyl)oxy]-4,5-dimethylpyridazine
CID 64601172
6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine
CID 115474542
5-bromo-4-[(5-chloro-3-pyridinyl)oxy]pyrimidine
CID 66319604
[6-[(5-chloro-3-pyridinyl)oxy]-5-ethylpyrimidin-4-yl]hydrazine
CID 80921561
5-(chloromethyl)-4-(3-methoxyphenoxy)-2-methylpyrimidine
CID 114215617
3-chloro-5-(2-chloro-4-methylphenoxy)pyridine
CID 143108341
4-[(5-chloro-3-pyridinyl)oxy]-5-iodo-1H-pyrimidin-6-one
CID 114676453
6-[(5-chloro-3-pyridinyl)oxy]-2-methoxypyridin-3-amine
CID 64602121

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-3-pyridinyl)oxy]-2-methylpyrimidin-5-yl]methanamine?
The IUPAC name of [4-[(5-chloro-3-pyridinyl)oxy]-2-methylpyrimidin-5-yl]methanamine (CID 114217165) is [4-[(5-chloro-3-pyridinyl)oxy]-2-methylpyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-[(5-chloro-3-pyridinyl)oxy]-2-methylpyrimidin-5-yl]methanamine?
The canonical SMILES for [4-[(5-chloro-3-pyridinyl)oxy]-2-methylpyrimidin-5-yl]methanamine is Cc1ncc(CN)c(Oc2cncc(Cl)c2)n1.
What is the InChIKey of [4-[(5-chloro-3-pyridinyl)oxy]-2-methylpyrimidin-5-yl]methanamine?
The InChIKey is MWBKDKGMHWGXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-7-15-4-8(3-13)11(16-7)17-10-2-9(12)5-14-6-10/h2,4-6H,3,13H2,1H3.
What are the key properties of [4-[(5-chloro-3-pyridinyl)oxy]-2-methylpyrimidin-5-yl]methanamine?
[4-[(5-chloro-3-pyridinyl)oxy]-2-methylpyrimidin-5-yl]methanamine has a molecular weight of 250.69 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chloro-3-pyridinyl)oxy]-2-methylpyrimidin-5-yl]methanamine is sourced from PubChem (CID 114217165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).