5-chloro-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrimidin-2-amine

C10H14ClN3O2S — CID 164632391

IUPAC5-chloro-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrimidin-2-amine
SMILESC[C@H](Nc1ncc(Cl)cn1)C1(S(C)(=O)=O)CC1
InChIInChI=1S/C10H14ClN3O2S/c1-7(10(3-4-10)17(2,15)16)14-9-12-5-8(11)6-13-9/h5-7H,3-4H2,1-2H3,(H,12,13,14)/t7-/m0/s1
InChIKeyONFDUQAMUJKMML-ZETCQYMHSA-N
MW275.76 g/mol
LogP1.51
Rot. Bonds4

About 5-chloro-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrimidin-2-amine

5-chloro-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrimidin-2-amine (PubChem CID 164632391) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrimidin-2-amine
PubChem CID164632391
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name5-chloro-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrimidin-2-amine
SMILESC[C@H](Nc1ncc(Cl)cn1)C1(S(C)(=O)=O)CC1
InChIInChI=1S/C10H14ClN3O2S/c1-7(10(3-4-10)17(2,15)16)14-9-12-5-8(11)6-13-9/h5-7H,3-4H2,1-2H3,(H,12,13,14)/t7-/m0/s1
InChIKeyONFDUQAMUJKMML-ZETCQYMHSA-N
XLogP1.51
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-2-amine
CID 63208027
5-bromo-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine
CID 71980260
5-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-2-amine
CID 115750151
N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide
CID 66730755
5-chloro-2-[(2R,3S)-3-methylsulfonylbutan-2-yl]pyrimidine
CID 132107233
5-chloro-2-[(2S)-2-methylsulfonylpropyl]pyrimidine
CID 134535202
(2R)-2-(5-chloropyrimidin-2-yl)butane-2-sulfonamide
CID 135369468
(5-Chloropyrimidin-2-yl) piperidin-4-ylmethanesulfonate
CID 150513868
N-tert-butyl-5-chloro-4-methylsulfonylpyrimidin-2-amine
CID 156236016
(1S)-1-[1-(5-chloropyrimidin-2-yl)cyclopropyl]ethanesulfonamide
CID 163730472
5-chloro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
CID 175758661
2-chloro-N-(1-cyclopropylethyl)pyrimidine-5-sulfonamide
CID 43533478

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrimidin-2-amine (CID 164632391) is 5-chloro-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrimidin-2-amine is C[C@H](Nc1ncc(Cl)cn1)C1(S(C)(=O)=O)CC1.
What is the InChIKey of 5-chloro-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrimidin-2-amine?
The InChIKey is ONFDUQAMUJKMML-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c1-7(10(3-4-10)17(2,15)16)14-9-12-5-8(11)6-13-9/h5-7H,3-4H2,1-2H3,(H,12,13,14)/t7-/m0/s1.
What are the key properties of 5-chloro-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrimidin-2-amine?
5-chloro-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrimidin-2-amine has a molecular weight of 275.76 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 164632391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).