N-butyl-5-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]-N-methylpyrimidin-2-amine

C21H25N5O — CID 135246759

IUPACN-butyl-5-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]-N-methylpyrimidin-2-amine
SMILESCCCCN(C)c1ncc(Oc2ncccc2-c2cnccc2CC)cn1
InChIInChI=1S/C21H25N5O/c1-4-6-12-26(3)21-24-13-17(14-25-21)27-20-18(8-7-10-23-20)19-15-22-11-9-16(19)5-2/h7-11,13-15H,4-6,12H2,1-3H3
InChIKeyOJHYMSQEIKOONM-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.52
Rot. Bonds8

About N-butyl-5-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]-N-methylpyrimidin-2-amine

N-butyl-5-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]-N-methylpyrimidin-2-amine (PubChem CID 135246759) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-butyl-5-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-butyl-5-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]-N-methylpyrimidin-2-amine
PubChem CID135246759
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-butyl-5-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]-N-methylpyrimidin-2-amine
SMILESCCCCN(C)c1ncc(Oc2ncccc2-c2cnccc2CC)cn1
InChIInChI=1S/C21H25N5O/c1-4-6-12-26(3)21-24-13-17(14-25-21)27-20-18(8-7-10-23-20)19-15-22-11-9-16(19)5-2/h7-11,13-15H,4-6,12H2,1-3H3
InChIKeyOJHYMSQEIKOONM-UHFFFAOYSA-N
XLogP4.52
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]-N-methylpyrimidin-2-amine?
The IUPAC name of N-butyl-5-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]-N-methylpyrimidin-2-amine (CID 135246759) is N-butyl-5-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-butyl-5-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]-N-methylpyrimidin-2-amine?
The canonical SMILES for N-butyl-5-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]-N-methylpyrimidin-2-amine is CCCCN(C)c1ncc(Oc2ncccc2-c2cnccc2CC)cn1.
What is the InChIKey of N-butyl-5-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]-N-methylpyrimidin-2-amine?
The InChIKey is OJHYMSQEIKOONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-4-6-12-26(3)21-24-13-17(14-25-21)27-20-18(8-7-10-23-20)19-15-22-11-9-16(19)5-2/h7-11,13-15H,4-6,12H2,1-3H3.
What are the key properties of N-butyl-5-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]-N-methylpyrimidin-2-amine?
N-butyl-5-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]-N-methylpyrimidin-2-amine has a molecular weight of 363.47 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 135246759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).