(2-cyclopropylpyrimidin-5-yl) 3-methylhexanoate

C14H20N2O2 — CID 174261070

IUPAC(2-cyclopropylpyrimidin-5-yl) 3-methylhexanoate
SMILESCCCC(C)CC(=O)Oc1cnc(C2CC2)nc1
InChIInChI=1S/C14H20N2O2/c1-3-4-10(2)7-13(17)18-12-8-15-14(16-9-12)11-5-6-11/h8-11H,3-7H2,1-2H3
InChIKeyOSEHUJWYOBENAS-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.09
Rot. Bonds6

About (2-cyclopropylpyrimidin-5-yl) 3-methylhexanoate

(2-cyclopropylpyrimidin-5-yl) 3-methylhexanoate (PubChem CID 174261070) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-5-yl) 3-methylhexanoate.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-5-yl) 3-methylhexanoate
PubChem CID174261070
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2-cyclopropylpyrimidin-5-yl) 3-methylhexanoate
SMILESCCCC(C)CC(=O)Oc1cnc(C2CC2)nc1
InChIInChI=1S/C14H20N2O2/c1-3-4-10(2)7-13(17)18-12-8-15-14(16-9-12)11-5-6-11/h8-11H,3-7H2,1-2H3
InChIKeyOSEHUJWYOBENAS-UHFFFAOYSA-N
XLogP3.09
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrimidin-5-yl) 3-methylhexanoate?
The IUPAC name of (2-cyclopropylpyrimidin-5-yl) 3-methylhexanoate (CID 174261070) is (2-cyclopropylpyrimidin-5-yl) 3-methylhexanoate.
What is the SMILES notation for (2-cyclopropylpyrimidin-5-yl) 3-methylhexanoate?
The canonical SMILES for (2-cyclopropylpyrimidin-5-yl) 3-methylhexanoate is CCCC(C)CC(=O)Oc1cnc(C2CC2)nc1.
What is the InChIKey of (2-cyclopropylpyrimidin-5-yl) 3-methylhexanoate?
The InChIKey is OSEHUJWYOBENAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-4-10(2)7-13(17)18-12-8-15-14(16-9-12)11-5-6-11/h8-11H,3-7H2,1-2H3.
What are the key properties of (2-cyclopropylpyrimidin-5-yl) 3-methylhexanoate?
(2-cyclopropylpyrimidin-5-yl) 3-methylhexanoate has a molecular weight of 248.33 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-5-yl) 3-methylhexanoate is sourced from PubChem (CID 174261070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).