4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine

C12H17ClN4O2 — CID 686334

IUPAC4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine
SMILESClc1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H17ClN4O2/c13-10-9-11(16-1-5-18-6-2-16)15-12(14-10)17-3-7-19-8-4-17/h9H,1-8H2
InChIKeyKIWUTYCMQNZUPX-UHFFFAOYSA-N
MW284.75 g/mol
LogP0.80
Rot. Bonds2

About 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine

4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine (PubChem CID 686334) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine
PubChem CID686334
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine
SMILESClc1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H17ClN4O2/c13-10-9-11(16-1-5-18-6-2-16)15-12(14-10)17-3-7-19-8-4-17/h9H,1-8H2
InChIKeyKIWUTYCMQNZUPX-UHFFFAOYSA-N
XLogP0.80
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine?
The IUPAC name of 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine (CID 686334) is 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine?
The canonical SMILES for 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine is Clc1cc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine?
The InChIKey is KIWUTYCMQNZUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c13-10-9-11(16-1-5-18-6-2-16)15-12(14-10)17-3-7-19-8-4-17/h9H,1-8H2.
What are the key properties of 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine?
4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine has a molecular weight of 284.75 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine is sourced from PubChem (CID 686334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).