2-[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]sulfanylacetamide

C13H17ClN4O2S — CID 143741668

IUPAC2-[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]sulfanylacetamide
SMILESNC(=O)CSC1(c2cc(N3CCOCC3)nc(Cl)n2)CC1
InChIInChI=1S/C13H17ClN4O2S/c14-12-16-9(13(1-2-13)21-8-10(15)19)7-11(17-12)18-3-5-20-6-4-18/h7H,1-6,8H2,(H2,15,19)
InChIKeyHFQQDUUMHMMGGM-UHFFFAOYSA-N
MW328.83 g/mol
LogP1.17
Rot. Bonds5

About 2-[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]sulfanylacetamide

2-[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]sulfanylacetamide (PubChem CID 143741668) has the molecular formula C13H17ClN4O2S and a molecular weight of 328.83 g/mol. Its IUPAC name is 2-[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]sulfanylacetamide
PubChem CID143741668
Molecular FormulaC13H17ClN4O2S
Molecular Weight328.83 g/mol
Exact Mass328.08
IUPAC Name2-[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]sulfanylacetamide
SMILESNC(=O)CSC1(c2cc(N3CCOCC3)nc(Cl)n2)CC1
InChIInChI=1S/C13H17ClN4O2S/c14-12-16-9(13(1-2-13)21-8-10(15)19)7-11(17-12)18-3-5-20-6-4-18/h7H,1-6,8H2,(H2,15,19)
InChIKeyHFQQDUUMHMMGGM-UHFFFAOYSA-N
XLogP1.17
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-chloro-6-(1-ethylsulfanylcyclopropyl)pyrimidin-4-yl]morpholine
CID 143741738
4-[2-chloro-6-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]pyrimidin-4-yl]morpholine
CID 143742020
[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopentyl]methanesulfinate
CID 175267852
4-[2-chloro-6-(4-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine
CID 174644321
1-[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]-1-prop-2-enylsulfonylethanol
CID 174618883
[[1-[2-chloro-6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]cyclopropyl]-methyl-oxo-λ6-sulfanylidene]carbamic acid
CID 154961474
2-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)ethanamine
CID 83852725
[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-(4-fluorophenyl)sulfanium
CID 143741808
2-amino-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone
CID 164974271
4-[2-chloro-6-(1-pyridin-2-ylsulfinylcyclopentyl)pyrimidin-4-yl]morpholine
CID 163915630
2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid
CID 23993191
4-[4-[1-(3-chloro-4-fluorophenyl)sulfanylcyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]aniline
CID 143741649

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]sulfanylacetamide?
The IUPAC name of 2-[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]sulfanylacetamide (CID 143741668) is 2-[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]sulfanylacetamide.
What is the SMILES notation for 2-[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]sulfanylacetamide?
The canonical SMILES for 2-[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]sulfanylacetamide is NC(=O)CSC1(c2cc(N3CCOCC3)nc(Cl)n2)CC1.
What is the InChIKey of 2-[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]sulfanylacetamide?
The InChIKey is HFQQDUUMHMMGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2S/c14-12-16-9(13(1-2-13)21-8-10(15)19)7-11(17-12)18-3-5-20-6-4-18/h7H,1-6,8H2,(H2,15,19).
What are the key properties of 2-[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]sulfanylacetamide?
2-[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]sulfanylacetamide has a molecular weight of 328.83 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]sulfanylacetamide is sourced from PubChem (CID 143741668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).