4,5-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine

C9H15N3OS — CID 131209110

IUPAC4,5-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine
SMILESCc1cnc(NCCS(C)=O)nc1C
InChIInChI=1S/C9H15N3OS/c1-7-6-11-9(12-8(7)2)10-4-5-14(3)13/h6H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyAHUAEHPCAZZTKD-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.88
Rot. Bonds4

About 4,5-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine

4,5-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine (PubChem CID 131209110) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 4,5-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine
PubChem CID131209110
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name4,5-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine
SMILESCc1cnc(NCCS(C)=O)nc1C
InChIInChI=1S/C9H15N3OS/c1-7-6-11-9(12-8(7)2)10-4-5-14(3)13/h6H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyAHUAEHPCAZZTKD-UHFFFAOYSA-N
XLogP0.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethyl-N-(2-methylsulfinylethyl)-1,2,4-triazin-3-amine
CID 114448572
3-[(4,5-dimethylpyrimidin-2-yl)amino]propanamide
CID 131020900
4,6-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine
CID 115631573
N-(3,3-difluoropropyl)-4,5-dimethylpyrimidin-2-amine
CID 130992738
2-N-(2-methylsulfinylethyl)pyrimidine-2,4-diamine
CID 116797406
2-[(4,5-dimethylpyrimidin-2-yl)amino]-N,N-diethylethanesulfonamide
CID 75436342
4,5-dimethyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-2-amine
CID 128564545
6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 113480698
6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile
CID 107545228
N-[(1-methoxycyclobutyl)methyl]-4,5-dimethylpyrimidin-2-amine
CID 133460018
3-methyl-N-(2-methylsulfinylethyl)-1,2,4-thiadiazol-5-amine
CID 115657618
(2S)-2-[(4,5-dimethylpyrimidin-2-yl)amino]propan-1-ol
CID 130660373

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine?
The IUPAC name of 4,5-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine (CID 131209110) is 4,5-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine?
The canonical SMILES for 4,5-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine is Cc1cnc(NCCS(C)=O)nc1C.
What is the InChIKey of 4,5-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine?
The InChIKey is AHUAEHPCAZZTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7-6-11-9(12-8(7)2)10-4-5-14(3)13/h6H,4-5H2,1-3H3,(H,10,11,12).
What are the key properties of 4,5-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine?
4,5-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine has a molecular weight of 213.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine is sourced from PubChem (CID 131209110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).