4-methyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-amine

C10H16N4S — CID 106973347

IUPAC4-methyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-amine
SMILESCSc1cc(N2CC(C)C(N)C2)ncn1
InChIInChI=1S/C10H16N4S/c1-7-4-14(5-8(7)11)9-3-10(15-2)13-6-12-9/h3,6-8H,4-5,11H2,1-2H3
InChIKeyABHFCXCMFNIVND-UHFFFAOYSA-N
MW224.33 g/mol
LogP0.98
Rot. Bonds2

About 4-methyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-amine

4-methyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-amine (PubChem CID 106973347) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-methyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-amine
PubChem CID106973347
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name4-methyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-amine
SMILESCSc1cc(N2CC(C)C(N)C2)ncn1
InChIInChI=1S/C10H16N4S/c1-7-4-14(5-8(7)11)9-3-10(15-2)13-6-12-9/h3,6-8H,4-5,11H2,1-2H3
InChIKeyABHFCXCMFNIVND-UHFFFAOYSA-N
XLogP0.98
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-amine
CID 106973343
4-(4-chloro-3-methylpiperidin-1-yl)-6-methylsulfanylpyrimidine
CID 106973827
N-methyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-amine
CID 106973300
4-(4-bromopiperidin-1-yl)-6-methylsulfanylpyrimidine
CID 106973777
[4-(6-methylsulfanylpyrimidin-4-yl)morpholin-2-yl]methanol
CID 106973462
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrimidin-4-amine
CID 81470283
2-[4-(6-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pentanenitrile
CID 106972429
1-(6-fluoropyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine
CID 115417231
3-[4-(6-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 106972383
2-methyl-N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methyl]propan-1-amine
CID 106973651
6-(3,4-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-4-amine
CID 80848167
N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 106973293

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-amine?
The IUPAC name of 4-methyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-amine (CID 106973347) is 4-methyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for 4-methyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-amine?
The canonical SMILES for 4-methyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-amine is CSc1cc(N2CC(C)C(N)C2)ncn1.
What is the InChIKey of 4-methyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-amine?
The InChIKey is ABHFCXCMFNIVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-7-4-14(5-8(7)11)9-3-10(15-2)13-6-12-9/h3,6-8H,4-5,11H2,1-2H3.
What are the key properties of 4-methyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-amine?
4-methyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-amine has a molecular weight of 224.33 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 106973347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).