6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylsulfanylpyrimidin-4-amine

C12H21N5S — CID 81469287

IUPAC6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(N)cc(N2CC(C)C(N(C)C)C2)n1
InChIInChI=1S/C12H21N5S/c1-8-6-17(7-9(8)16(2)3)11-5-10(13)14-12(15-11)18-4/h5,8-9H,6-7H2,1-4H3,(H2,13,14,15)
InChIKeyWYCKFELICIQSGU-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.17
Rot. Bonds3

About 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylsulfanylpyrimidin-4-amine

6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylsulfanylpyrimidin-4-amine (PubChem CID 81469287) has the molecular formula C12H21N5S and a molecular weight of 267.40 g/mol. Its IUPAC name is 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylsulfanylpyrimidin-4-amine
PubChem CID81469287
Molecular FormulaC12H21N5S
Molecular Weight267.40 g/mol
Exact Mass267.15
IUPAC Name6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(N)cc(N2CC(C)C(N(C)C)C2)n1
InChIInChI=1S/C12H21N5S/c1-8-6-17(7-9(8)16(2)3)11-5-10(13)14-12(15-11)18-4/h5,8-9H,6-7H2,1-4H3,(H2,13,14,15)
InChIKeyWYCKFELICIQSGU-UHFFFAOYSA-N
XLogP1.17
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrimidin-4-amine
CID 81470283
6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80798063
1-(2-chloro-6-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine
CID 81474528
2-cyclopropyl-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 81469286
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81469827
2-methylsulfanyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-4-amine
CID 80816748
2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-amine
CID 77231452
1-(6-fluoropyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine
CID 115417231
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methylpyrazin-2-amine
CID 81469556
5-amino-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyridine-4-carboxamide
CID 114090484
2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847671
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 102716081

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylsulfanylpyrimidin-4-amine (CID 81469287) is 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylsulfanylpyrimidin-4-amine is CSc1nc(N)cc(N2CC(C)C(N(C)C)C2)n1.
What is the InChIKey of 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is WYCKFELICIQSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5S/c1-8-6-17(7-9(8)16(2)3)11-5-10(13)14-12(15-11)18-4/h5,8-9H,6-7H2,1-4H3,(H2,13,14,15).
What are the key properties of 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylsulfanylpyrimidin-4-amine?
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 267.40 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 81469287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).