5-[[3-chloro-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylpentan-2-amine

C16H21ClN4O — CID 146208201

IUPAC5-[[3-chloro-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylpentan-2-amine
SMILESCc1cc(-c2cnc(OCC(C)CC(C)N)c(Cl)c2)ncn1
InChIInChI=1S/C16H21ClN4O/c1-10(4-11(2)18)8-22-16-14(17)6-13(7-19-16)15-5-12(3)20-9-21-15/h5-7,9-11H,4,8,18H2,1-3H3
InChIKeyJYFCPOYBAVDTOG-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.25
Rot. Bonds6

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

5-[[3-chloro-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylpentan-2-amine (PubChem CID 146208201) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 5-[[3-chloro-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylpentan-2-amine.

Molecular Properties

Compound Name5-[[3-chloro-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylpentan-2-amine
PubChem CID146208201
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name5-[[3-chloro-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylpentan-2-amine
SMILESCc1cc(-c2cnc(OCC(C)CC(C)N)c(Cl)c2)ncn1
InChIInChI=1S/C16H21ClN4O/c1-10(4-11(2)18)8-22-16-14(17)6-13(7-19-16)15-5-12(3)20-9-21-15/h5-7,9-11H,4,8,18H2,1-3H3
InChIKeyJYFCPOYBAVDTOG-UHFFFAOYSA-N
XLogP3.25
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[3-chloro-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylpentan-2-amine with MolForge

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Related Compounds

4-(5-chloro-6-fluoro-3-pyridinyl)-6-methylpyrimidine;(2S)-1-[[3-chloro-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 158113481
(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride
CID 142503813
4-methyl-6-(6-methylpyrimidin-4-yl)pyrimidine
CID 21259166
2-chloro-4-(6-methylpyrimidin-4-yl)-6-nitrosoaniline
CID 126705591
5-[4-(2,6-dimethylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]-4-methylpentan-2-amine
CID 146208216
2-(2,4-dimethylpentoxy)-5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)pyridine
CID 144939879
5-(2-chloro-4-pyridinyl)-3-(difluoromethyl)-2-[(2S)-2,4-dimethylpentoxy]pyridine
CID 151683369
(2S)-1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118419702
1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 134285449
4-(2-chloropropyl)-6-methylpyrimidine
CID 63205078
8-(4-amino-2-methylpentoxy)-2,5,7-trimethylbenzo[c][1,7]naphthyridin-6-one
CID 138651245
4-[3-chloro-4-(3-methyloxetan-3-yl)phenyl]-6-methylpyrimidine
CID 126705473

Frequently Asked Questions

What is the IUPAC name of 5-[[3-chloro-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylpentan-2-amine?
The IUPAC name of 5-[[3-chloro-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylpentan-2-amine (CID 146208201) is 5-[[3-chloro-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylpentan-2-amine.
What is the SMILES notation for 5-[[3-chloro-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylpentan-2-amine?
The canonical SMILES for 5-[[3-chloro-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylpentan-2-amine is Cc1cc(-c2cnc(OCC(C)CC(C)N)c(Cl)c2)ncn1.
What is the InChIKey of 5-[[3-chloro-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylpentan-2-amine?
The InChIKey is JYFCPOYBAVDTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O/c1-10(4-11(2)18)8-22-16-14(17)6-13(7-19-16)15-5-12(3)20-9-21-15/h5-7,9-11H,4,8,18H2,1-3H3.
What are the key properties of 5-[[3-chloro-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylpentan-2-amine?
5-[[3-chloro-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylpentan-2-amine has a molecular weight of 320.82 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-chloro-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylpentan-2-amine is sourced from PubChem (CID 146208201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).