6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-propylpyrimidin-4-amine

C13H15ClN4O — CID 80950367

IUPAC6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(Oc2cncc(Cl)c2)n1
InChIInChI=1S/C13H15ClN4O/c1-3-4-11-17-12(15-2)6-13(18-11)19-10-5-9(14)7-16-8-10/h5-8H,3-4H2,1-2H3,(H,15,17,18)
InChIKeyLMSPORGPAGWEDA-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.31
Rot. Bonds5

About 6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-propylpyrimidin-4-amine

6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-propylpyrimidin-4-amine (PubChem CID 80950367) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-propylpyrimidin-4-amine
PubChem CID80950367
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(Oc2cncc(Cl)c2)n1
InChIInChI=1S/C13H15ClN4O/c1-3-4-11-17-12(15-2)6-13(18-11)19-10-5-9(14)7-16-8-10/h5-8H,3-4H2,1-2H3,(H,15,17,18)
InChIKeyLMSPORGPAGWEDA-UHFFFAOYSA-N
XLogP3.31
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80963382
6-[(5-chloro-3-pyridinyl)oxy]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 80963096
6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 80949548
6-(3-ethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80950205
N-methyl-6-(3-methylbutan-2-yloxy)-2-propylpyrimidin-4-amine
CID 80950076
N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-propylpyrimidin-4-amine
CID 80950560
6-(2-bromo-4-methoxyphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 104708809
6-(2,5-dimethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949696
6-(2-methoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949765
6-(2-ethoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949615
4-[(5-chloro-3-pyridinyl)oxy]-6-hydrazinylpyrimidin-2-amine
CID 80922149
N-methyl-6-prop-2-enoxy-2-propylpyrimidin-4-amine
CID 80950558

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-propylpyrimidin-4-amine (CID 80950367) is 6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NC)cc(Oc2cncc(Cl)c2)n1.
What is the InChIKey of 6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-propylpyrimidin-4-amine?
The InChIKey is LMSPORGPAGWEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-3-4-11-17-12(15-2)6-13(18-11)19-10-5-9(14)7-16-8-10/h5-8H,3-4H2,1-2H3,(H,15,17,18).
What are the key properties of 6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-propylpyrimidin-4-amine?
6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-propylpyrimidin-4-amine has a molecular weight of 278.74 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80950367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).