6-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidin-4-amine

C11H18N4O3S — CID 50978461

IUPAC6-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidin-4-amine
SMILESCOc1cc(NCCS(=O)(=O)N2CCCC2)ncn1
InChIInChI=1S/C11H18N4O3S/c1-18-11-8-10(13-9-14-11)12-4-7-19(16,17)15-5-2-3-6-15/h8-9H,2-7H2,1H3,(H,12,13,14)
InChIKeyVVVZSTRMXRCLAZ-UHFFFAOYSA-N
MW286.36 g/mol
LogP0.32
Rot. Bonds6

About 6-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidin-4-amine

6-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidin-4-amine (PubChem CID 50978461) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 6-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidin-4-amine
PubChem CID50978461
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name6-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidin-4-amine
SMILESCOc1cc(NCCS(=O)(=O)N2CCCC2)ncn1
InChIInChI=1S/C11H18N4O3S/c1-18-11-8-10(13-9-14-11)12-4-7-19(16,17)15-5-2-3-6-15/h8-9H,2-7H2,1H3,(H,12,13,14)
InChIKeyVVVZSTRMXRCLAZ-UHFFFAOYSA-N
XLogP0.32
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-6-methoxypyrimidin-4-amine
CID 50966846
N-[1-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 50975932
N-(1,1-dioxidotetrahydro-3-thienyl)-6-methoxypyrimidin-4-amine
CID 50983657
2-(6-Methoxypyrimidin-4-yl)-7-methylsulfonyl-2,7-diazaspiro[3.4]octane
CID 97472628
7-Cyclopropylsulfonyl-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[3.4]octane
CID 97472641
7-Ethylsulfonyl-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[3.4]octane
CID 97472700
6-methoxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 39818605
N-{2-[(6-methoxypyrimidin-4-yl)amino]ethyl}-N-methylmethanesulfonamide
CID 50976367
N-{[3-(dimethylamino)tetrahydro-3-thienyl]methyl}-6-methoxypyrimidin-4-amine
CID 50979529
2-[(6-methoxypyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 50982075
2-(diethylamino)-N-(4,6-dimethoxypyrimidin-2-yl)ethanesulfonamide
CID 121568800
4-methoxy-2-[(3S)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]pyrimidine
CID 124575254

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidin-4-amine (CID 50978461) is 6-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidin-4-amine is COc1cc(NCCS(=O)(=O)N2CCCC2)ncn1.
What is the InChIKey of 6-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidin-4-amine?
The InChIKey is VVVZSTRMXRCLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-18-11-8-10(13-9-14-11)12-4-7-19(16,17)15-5-2-3-6-15/h8-9H,2-7H2,1H3,(H,12,13,14).
What are the key properties of 6-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidin-4-amine?
6-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidin-4-amine has a molecular weight of 286.36 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidin-4-amine is sourced from PubChem (CID 50978461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).