6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine

C12H20N4S — CID 106973223

IUPAC6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine
SMILESCCCN(c1cc(SC)ncn1)C1CCNC1
InChIInChI=1S/C12H20N4S/c1-3-6-16(10-4-5-13-8-10)11-7-12(17-2)15-9-14-11/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyLSOPOBLEABEVMP-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.78
Rot. Bonds5

About 6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine

6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine (PubChem CID 106973223) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine
PubChem CID106973223
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine
SMILESCCCN(c1cc(SC)ncn1)C1CCNC1
InChIInChI=1S/C12H20N4S/c1-3-6-16(10-4-5-13-8-10)11-7-12(17-2)15-9-14-11/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyLSOPOBLEABEVMP-UHFFFAOYSA-N
XLogP1.78
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-cyclopropyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine
CID 106973855
3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 112676147
2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol
CID 106973483
5-methyl-N-propyl-N-pyrrolidin-3-ylpyridazin-3-amine
CID 106550166
5-chloro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63304263
4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63304533
4-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 79175870
6-chloro-N-propyl-N-pyrrolidin-3-ylpyridazin-3-amine
CID 63304490
5-chloro-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 105369954
2-[cyclopropyl-(6-methylsulfanylpyrimidin-4-yl)amino]acetic acid
CID 106972190
N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrimidin-4-amine
CID 63304405
2-cyclopropyl-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136978098

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine?
The IUPAC name of 6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine (CID 106973223) is 6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine is CCCN(c1cc(SC)ncn1)C1CCNC1.
What is the InChIKey of 6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine?
The InChIKey is LSOPOBLEABEVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-3-6-16(10-4-5-13-8-10)11-7-12(17-2)15-9-14-11/h7,9-10,13H,3-6,8H2,1-2H3.
What are the key properties of 6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine?
6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine has a molecular weight of 252.39 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 106973223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).