5,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylpyrimidin-4-amine

C17H22N4O2S — CID 133344239

IUPAC5,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccncc2)nc(NCC2(CS(C)(=O)=O)CC2)c1C
InChIInChI=1S/C17H22N4O2S/c1-12-13(2)20-16(14-4-8-18-9-5-14)21-15(12)19-10-17(6-7-17)11-24(3,22)23/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,19,20,21)
InChIKeyMQRQKPNVCLYPNS-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.39
Rot. Bonds6

About 5,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylpyrimidin-4-amine

5,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 133344239) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 5,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID133344239
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name5,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccncc2)nc(NCC2(CS(C)(=O)=O)CC2)c1C
InChIInChI=1S/C17H22N4O2S/c1-12-13(2)20-16(14-4-8-18-9-5-14)21-15(12)19-10-17(6-7-17)11-24(3,22)23/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,19,20,21)
InChIKeyMQRQKPNVCLYPNS-UHFFFAOYSA-N
XLogP2.39
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylpyrimidin-4-amine (CID 133344239) is 5,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylpyrimidin-4-amine is Cc1nc(-c2ccncc2)nc(NCC2(CS(C)(=O)=O)CC2)c1C.
What is the InChIKey of 5,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is MQRQKPNVCLYPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-12-13(2)20-16(14-4-8-18-9-5-14)21-15(12)19-10-17(6-7-17)11-24(3,22)23/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,19,20,21).
What are the key properties of 5,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylpyrimidin-4-amine?
5,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 346.46 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 133344239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).