N-methyl-1-[2-(1-methylsulfonylethyl)pyrimidin-4-yl]methanamine

C9H15N3O2S — CID 116633380

IUPACN-methyl-1-[2-(1-methylsulfonylethyl)pyrimidin-4-yl]methanamine
SMILESCNCc1ccnc(C(C)S(C)(=O)=O)n1
InChIInChI=1S/C9H15N3O2S/c1-7(15(3,13)14)9-11-5-4-8(12-9)6-10-2/h4-5,7,10H,6H2,1-3H3
InChIKeyYZJFXGMPSHCDNR-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.30
Rot. Bonds4

About N-methyl-1-[2-(1-methylsulfonylethyl)pyrimidin-4-yl]methanamine

N-methyl-1-[2-(1-methylsulfonylethyl)pyrimidin-4-yl]methanamine (PubChem CID 116633380) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-methyl-1-[2-(1-methylsulfonylethyl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(1-methylsulfonylethyl)pyrimidin-4-yl]methanamine
PubChem CID116633380
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-methyl-1-[2-(1-methylsulfonylethyl)pyrimidin-4-yl]methanamine
SMILESCNCc1ccnc(C(C)S(C)(=O)=O)n1
InChIInChI=1S/C9H15N3O2S/c1-7(15(3,13)14)9-11-5-4-8(12-9)6-10-2/h4-5,7,10H,6H2,1-3H3
InChIKeyYZJFXGMPSHCDNR-UHFFFAOYSA-N
XLogP0.30
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1-methoxypropyl)pyrimidin-4-yl]-N-methylmethanamine
CID 116731053
1-[2-[cyclopropyl(methoxy)methyl]pyrimidin-4-yl]-N-methylmethanamine
CID 116731055
N-methyl-1-[2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methanamine
CID 65402198
1-(2-cyclobutylpyrimidin-4-yl)-N-methylmethanamine
CID 64985841
2-(dimethylamino)-4-[(dimethylsulfamoylamino)methyl]pyrimidine
CID 122354229
1-(2-cyclohexylpyrimidin-4-yl)-N-methylmethanamine
CID 62747376
N-methyl-1-[2-(2-methylcyclopropyl)pyrimidin-4-yl]methanamine
CID 65421316
[(4-ethylpyrimidin-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane
CID 89375481
1-[2-(2-ethoxypropan-2-yl)pyrimidin-4-yl]-N-methylmethanamine
CID 116731058
1-[2-(1H-imidazol-2-yl)pyrimidin-4-yl]-N-methylmethanamine
CID 130483553
1-[2-[(4-bromophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine
CID 62748086
2-propan-2-yl-4-propylpyrimidine
CID 58111235

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1-methylsulfonylethyl)pyrimidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(1-methylsulfonylethyl)pyrimidin-4-yl]methanamine (CID 116633380) is N-methyl-1-[2-(1-methylsulfonylethyl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(1-methylsulfonylethyl)pyrimidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(1-methylsulfonylethyl)pyrimidin-4-yl]methanamine is CNCc1ccnc(C(C)S(C)(=O)=O)n1.
What is the InChIKey of N-methyl-1-[2-(1-methylsulfonylethyl)pyrimidin-4-yl]methanamine?
The InChIKey is YZJFXGMPSHCDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-7(15(3,13)14)9-11-5-4-8(12-9)6-10-2/h4-5,7,10H,6H2,1-3H3.
What are the key properties of N-methyl-1-[2-(1-methylsulfonylethyl)pyrimidin-4-yl]methanamine?
N-methyl-1-[2-(1-methylsulfonylethyl)pyrimidin-4-yl]methanamine has a molecular weight of 229.30 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1-methylsulfonylethyl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 116633380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).