4-[5-chloro-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-3-methylmorpholine

C14H21ClN4O2 — CID 71863714

IUPAC4-[5-chloro-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-3-methylmorpholine
SMILESCC1COCCN1c1ncc(Cl)c(N2CCOCC2C)n1
InChIInChI=1S/C14H21ClN4O2/c1-10-8-20-5-3-18(10)13-12(15)7-16-14(17-13)19-4-6-21-9-11(19)2/h7,10-11H,3-6,8-9H2,1-2H3
InChIKeySXURKKLASYHHCD-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.58
Rot. Bonds2

About 4-[5-chloro-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-3-methylmorpholine

4-[5-chloro-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 71863714) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is 4-[5-chloro-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[5-chloro-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-3-methylmorpholine
PubChem CID71863714
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC Name4-[5-chloro-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-3-methylmorpholine
SMILESCC1COCCN1c1ncc(Cl)c(N2CCOCC2C)n1
InChIInChI=1S/C14H21ClN4O2/c1-10-8-20-5-3-18(10)13-12(15)7-16-14(17-13)19-4-6-21-9-11(19)2/h7,10-11H,3-6,8-9H2,1-2H3
InChIKeySXURKKLASYHHCD-UHFFFAOYSA-N
XLogP1.58
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of 4-[5-chloro-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-3-methylmorpholine (CID 71863714) is 4-[5-chloro-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for 4-[5-chloro-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for 4-[5-chloro-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-3-methylmorpholine is CC1COCCN1c1ncc(Cl)c(N2CCOCC2C)n1.
What is the InChIKey of 4-[5-chloro-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is SXURKKLASYHHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O2/c1-10-8-20-5-3-18(10)13-12(15)7-16-14(17-13)19-4-6-21-9-11(19)2/h7,10-11H,3-6,8-9H2,1-2H3.
What are the key properties of 4-[5-chloro-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
4-[5-chloro-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 312.80 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 71863714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).