3-cyclopropyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine

C17H20N4O — CID 126788219

IUPAC3-cyclopropyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine
SMILESCc1cc(N2CCOCC2C2CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C17H20N4O/c1-12-10-16(20-17(19-12)14-4-6-18-7-5-14)21-8-9-22-11-15(21)13-2-3-13/h4-7,10,13,15H,2-3,8-9,11H2,1H3
InChIKeyPCOGHOHMBVHNFB-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.46
Rot. Bonds3

About 3-cyclopropyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine

3-cyclopropyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine (PubChem CID 126788219) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-cyclopropyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name3-cyclopropyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine
PubChem CID126788219
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3-cyclopropyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine
SMILESCc1cc(N2CCOCC2C2CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C17H20N4O/c1-12-10-16(20-17(19-12)14-4-6-18-7-5-14)21-8-9-22-11-15(21)13-2-3-13/h4-7,10,13,15H,2-3,8-9,11H2,1H3
InChIKeyPCOGHOHMBVHNFB-UHFFFAOYSA-N
XLogP2.46
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine?
The IUPAC name of 3-cyclopropyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine (CID 126788219) is 3-cyclopropyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 3-cyclopropyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine?
The canonical SMILES for 3-cyclopropyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine is Cc1cc(N2CCOCC2C2CC2)nc(-c2ccncc2)n1.
What is the InChIKey of 3-cyclopropyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine?
The InChIKey is PCOGHOHMBVHNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-10-16(20-17(19-12)14-4-6-18-7-5-14)21-8-9-22-11-15(21)13-2-3-13/h4-7,10,13,15H,2-3,8-9,11H2,1H3.
What are the key properties of 3-cyclopropyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine?
3-cyclopropyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine has a molecular weight of 296.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 126788219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).