5-bromo-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine

C10H14BrN3O2S — CID 71980260

IUPAC5-bromo-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine
SMILESCS(=O)(=O)CC1(CNc2ncc(Br)cn2)CC1
InChIInChI=1S/C10H14BrN3O2S/c1-17(15,16)7-10(2-3-10)6-14-9-12-4-8(11)5-13-9/h4-5H,2-3,6-7H2,1H3,(H,12,13,14)
InChIKeyGTVGYQVDSXHRIO-UHFFFAOYSA-N
MW320.21 g/mol
LogP1.48
Rot. Bonds5

About 5-bromo-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine

5-bromo-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine (PubChem CID 71980260) has the molecular formula C10H14BrN3O2S and a molecular weight of 320.21 g/mol. Its IUPAC name is 5-bromo-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine
PubChem CID71980260
Molecular FormulaC10H14BrN3O2S
Molecular Weight320.21 g/mol
Exact Mass319.00
IUPAC Name5-bromo-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine
SMILESCS(=O)(=O)CC1(CNc2ncc(Br)cn2)CC1
InChIInChI=1S/C10H14BrN3O2S/c1-17(15,16)7-10(2-3-10)6-14-9-12-4-8(11)5-13-9/h4-5H,2-3,6-7H2,1H3,(H,12,13,14)
InChIKeyGTVGYQVDSXHRIO-UHFFFAOYSA-N
XLogP1.48
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 51.48
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-[(1,1-dioxothian-4-yl)methyl]pyrimidin-2-amine
CID 75432973
5-bromo-2-N-(1,1-dioxothiolan-3-yl)-4-N-methylpyrimidine-2,4-diamine
CID 86802893
5-bromo-4-N-methyl-2-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine
CID 91650182
5-bromo-2-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-4-N-methylpyrimidine-2,4-diamine
CID 99634454
5-chloro-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrimidin-2-amine
CID 164632391
N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-5-methylpyrimidin-2-amine
CID 164642526
(2R,3S)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide
CID 122701995
(2R,3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide
CID 122702096
(2S,3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide
CID 122702152
(2S,3S)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide
CID 122702382
3-(5-Bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide
CID 122702734

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine (CID 71980260) is 5-bromo-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine is CS(=O)(=O)CC1(CNc2ncc(Br)cn2)CC1.
What is the InChIKey of 5-bromo-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine?
The InChIKey is GTVGYQVDSXHRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2S/c1-17(15,16)7-10(2-3-10)6-14-9-12-4-8(11)5-13-9/h4-5H,2-3,6-7H2,1H3,(H,12,13,14).
What are the key properties of 5-bromo-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine?
5-bromo-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine has a molecular weight of 320.21 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 71980260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).