4-[4-chloro-6-(1-methylsulfanylcyclopropyl)pyrimidin-2-yl]morpholine

C12H16ClN3OS — CID 145100370

IUPAC4-[4-chloro-6-(1-methylsulfanylcyclopropyl)pyrimidin-2-yl]morpholine
SMILESCSC1(c2cc(Cl)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C12H16ClN3OS/c1-18-12(2-3-12)9-8-10(13)15-11(14-9)16-4-6-17-7-5-16/h8H,2-7H2,1H3
InChIKeyHZHMLDPMGMJMRY-UHFFFAOYSA-N
MW285.80 g/mol
LogP2.32
Rot. Bonds3

About 4-[4-chloro-6-(1-methylsulfanylcyclopropyl)pyrimidin-2-yl]morpholine

4-[4-chloro-6-(1-methylsulfanylcyclopropyl)pyrimidin-2-yl]morpholine (PubChem CID 145100370) has the molecular formula C12H16ClN3OS and a molecular weight of 285.80 g/mol. Its IUPAC name is 4-[4-chloro-6-(1-methylsulfanylcyclopropyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-(1-methylsulfanylcyclopropyl)pyrimidin-2-yl]morpholine
PubChem CID145100370
Molecular FormulaC12H16ClN3OS
Molecular Weight285.80 g/mol
Exact Mass285.07
IUPAC Name4-[4-chloro-6-(1-methylsulfanylcyclopropyl)pyrimidin-2-yl]morpholine
SMILESCSC1(c2cc(Cl)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C12H16ClN3OS/c1-18-12(2-3-12)9-8-10(13)15-11(14-9)16-4-6-17-7-5-16/h8H,2-7H2,1H3
InChIKeyHZHMLDPMGMJMRY-UHFFFAOYSA-N
XLogP2.32
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(1-methylsulfanylcyclopropyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-(1-methylsulfanylcyclopropyl)pyrimidin-2-yl]morpholine (CID 145100370) is 4-[4-chloro-6-(1-methylsulfanylcyclopropyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-(1-methylsulfanylcyclopropyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-(1-methylsulfanylcyclopropyl)pyrimidin-2-yl]morpholine is CSC1(c2cc(Cl)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 4-[4-chloro-6-(1-methylsulfanylcyclopropyl)pyrimidin-2-yl]morpholine?
The InChIKey is HZHMLDPMGMJMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3OS/c1-18-12(2-3-12)9-8-10(13)15-11(14-9)16-4-6-17-7-5-16/h8H,2-7H2,1H3.
What are the key properties of 4-[4-chloro-6-(1-methylsulfanylcyclopropyl)pyrimidin-2-yl]morpholine?
4-[4-chloro-6-(1-methylsulfanylcyclopropyl)pyrimidin-2-yl]morpholine has a molecular weight of 285.80 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-(1-methylsulfanylcyclopropyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 145100370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).