4-(6-chloro-2-phenylpyrimidin-4-yl)morpholine

C14H14ClN3O — CID 1101911

IUPAC4-(6-chloro-2-phenylpyrimidin-4-yl)morpholine
SMILESClc1cc(N2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C14H14ClN3O/c15-12-10-13(18-6-8-19-9-7-18)17-14(16-12)11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChIKeyBCZUTFTXOOUHBV-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.63
Rot. Bonds2

About 4-(6-chloro-2-phenylpyrimidin-4-yl)morpholine

4-(6-chloro-2-phenylpyrimidin-4-yl)morpholine (PubChem CID 1101911) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-(6-chloro-2-phenylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(6-chloro-2-phenylpyrimidin-4-yl)morpholine
PubChem CID1101911
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name4-(6-chloro-2-phenylpyrimidin-4-yl)morpholine
SMILESClc1cc(N2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C14H14ClN3O/c15-12-10-13(18-6-8-19-9-7-18)17-14(16-12)11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChIKeyBCZUTFTXOOUHBV-UHFFFAOYSA-N
XLogP2.63
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-phenylpyrimidin-4-yl)morpholine?
The IUPAC name of 4-(6-chloro-2-phenylpyrimidin-4-yl)morpholine (CID 1101911) is 4-(6-chloro-2-phenylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(6-chloro-2-phenylpyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(6-chloro-2-phenylpyrimidin-4-yl)morpholine is Clc1cc(N2CCOCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-(6-chloro-2-phenylpyrimidin-4-yl)morpholine?
The InChIKey is BCZUTFTXOOUHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-12-10-13(18-6-8-19-9-7-18)17-14(16-12)11-4-2-1-3-5-11/h1-5,10H,6-9H2.
What are the key properties of 4-(6-chloro-2-phenylpyrimidin-4-yl)morpholine?
4-(6-chloro-2-phenylpyrimidin-4-yl)morpholine has a molecular weight of 275.74 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-phenylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 1101911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).