2-methyl-5-methylsulfonyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidin-4-amine

C13H17N3O2S2 — CID 97204672

IUPAC2-methyl-5-methylsulfonyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidin-4-amine
SMILESCc1ncc(S(C)(=O)=O)c(N[C@@H](C)Cc2ccsc2)n1
InChIInChI=1S/C13H17N3O2S2/c1-9(6-11-4-5-19-8-11)15-13-12(20(3,17)18)7-14-10(2)16-13/h4-5,7-9H,6H2,1-3H3,(H,14,15,16)/t9-/m0/s1
InChIKeyDNBOEKUUANJURF-VIFPVBQESA-N
MW311.43 g/mol
LogP2.29
Rot. Bonds5

About 2-methyl-5-methylsulfonyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidin-4-amine

2-methyl-5-methylsulfonyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidin-4-amine (PubChem CID 97204672) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-methylsulfonyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidin-4-amine
PubChem CID97204672
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name2-methyl-5-methylsulfonyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidin-4-amine
SMILESCc1ncc(S(C)(=O)=O)c(N[C@@H](C)Cc2ccsc2)n1
InChIInChI=1S/C13H17N3O2S2/c1-9(6-11-4-5-19-8-11)15-13-12(20(3,17)18)7-14-10(2)16-13/h4-5,7-9H,6H2,1-3H3,(H,14,15,16)/t9-/m0/s1
InChIKeyDNBOEKUUANJURF-VIFPVBQESA-N
XLogP2.29
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-N-(1-thiophen-3-ylpropan-2-yl)pyridin-3-amine
CID 115921558
2-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)-1H-imidazole-4,5-diamine
CID 82239190
5,6-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyridazine-4-carboxylic acid
CID 62711856
5-methyl-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 54954014
3-bromo-5-nitro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 79534973
1-methyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyrazin-2-one
CID 62938696
5-bromo-3-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 103582447
5-methyl-2-propyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80987707
1-[4-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)pyrimidin-5-yl]ethanone
CID 135109399
3,5-dichloro-2-N-methyl-6-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2,6-diamine
CID 102756935
6-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326002
5-fluoro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 61474267

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-5-methylsulfonyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidin-4-amine (CID 97204672) is 2-methyl-5-methylsulfonyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-methylsulfonyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-methylsulfonyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidin-4-amine is Cc1ncc(S(C)(=O)=O)c(N[C@@H](C)Cc2ccsc2)n1.
What is the InChIKey of 2-methyl-5-methylsulfonyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidin-4-amine?
The InChIKey is DNBOEKUUANJURF-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-9(6-11-4-5-19-8-11)15-13-12(20(3,17)18)7-14-10(2)16-13/h4-5,7-9H,6H2,1-3H3,(H,14,15,16)/t9-/m0/s1.
What are the key properties of 2-methyl-5-methylsulfonyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidin-4-amine?
2-methyl-5-methylsulfonyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidin-4-amine has a molecular weight of 311.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 97204672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).