6-[(5-chloro-3-pyridinyl)oxy]-2-cyclopropyl-N-methylpyrimidin-4-amine

C13H13ClN4O — CID 80963096

IUPAC6-[(5-chloro-3-pyridinyl)oxy]-2-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2cncc(Cl)c2)nc(C2CC2)n1
InChIInChI=1S/C13H13ClN4O/c1-15-11-5-12(18-13(17-11)8-2-3-8)19-10-4-9(14)6-16-7-10/h4-8H,2-3H2,1H3,(H,15,17,18)
InChIKeyVQCSYKFCBPEQEI-UHFFFAOYSA-N
MW276.73 g/mol
LogP3.24
Rot. Bonds4

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

6-[(5-chloro-3-pyridinyl)oxy]-2-cyclopropyl-N-methylpyrimidin-4-amine (PubChem CID 80963096) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 6-[(5-chloro-3-pyridinyl)oxy]-2-cyclopropyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(5-chloro-3-pyridinyl)oxy]-2-cyclopropyl-N-methylpyrimidin-4-amine
PubChem CID80963096
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name6-[(5-chloro-3-pyridinyl)oxy]-2-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2cncc(Cl)c2)nc(C2CC2)n1
InChIInChI=1S/C13H13ClN4O/c1-15-11-5-12(18-13(17-11)8-2-3-8)19-10-4-9(14)6-16-7-10/h4-8H,2-3H2,1H3,(H,15,17,18)
InChIKeyVQCSYKFCBPEQEI-UHFFFAOYSA-N
XLogP3.24
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-methylpyrimidin-4-amine
CID 80966664
6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80963382
6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-propylpyrimidin-4-amine
CID 80950367
6-(4-bromophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 80965887
2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80965855
2-cyclopropyl-6-[3-(dimethylamino)phenoxy]-N-methylpyrimidin-4-amine
CID 80966422
6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 116691215
3-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80965882
2-cyclopropyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
CID 80965780
4-[(5-chloro-3-pyridinyl)oxy]-6-hydrazinylpyrimidin-2-amine
CID 80922149
2-cyclopropyl-6-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine
CID 80962626
6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80966029

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-3-pyridinyl)oxy]-2-cyclopropyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[(5-chloro-3-pyridinyl)oxy]-2-cyclopropyl-N-methylpyrimidin-4-amine (CID 80963096) is 6-[(5-chloro-3-pyridinyl)oxy]-2-cyclopropyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[(5-chloro-3-pyridinyl)oxy]-2-cyclopropyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[(5-chloro-3-pyridinyl)oxy]-2-cyclopropyl-N-methylpyrimidin-4-amine is CNc1cc(Oc2cncc(Cl)c2)nc(C2CC2)n1.
What is the InChIKey of 6-[(5-chloro-3-pyridinyl)oxy]-2-cyclopropyl-N-methylpyrimidin-4-amine?
The InChIKey is VQCSYKFCBPEQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-15-11-5-12(18-13(17-11)8-2-3-8)19-10-4-9(14)6-16-7-10/h4-8H,2-3H2,1H3,(H,15,17,18).
What are the key properties of 6-[(5-chloro-3-pyridinyl)oxy]-2-cyclopropyl-N-methylpyrimidin-4-amine?
6-[(5-chloro-3-pyridinyl)oxy]-2-cyclopropyl-N-methylpyrimidin-4-amine has a molecular weight of 276.73 g/mol, XLogP of 3.24, 4 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]-2-cyclopropyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80963096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).