2-[1-(4-methyl-6-pyrrolidin-1-yl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine

C17H23N5S2 — CID 54290650

IUPAC2-[1-(4-methyl-6-pyrrolidin-1-yl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(N)nc(SC(C)c2cc(C)cc(N3CCCC3)n2)n1
InChIInChI=1S/C17H23N5S2/c1-11-8-13(19-15(9-11)22-6-4-5-7-22)12(2)24-17-20-14(18)10-16(21-17)23-3/h8-10,12H,4-7H2,1-3H3,(H2,18,20,21)
InChIKeyRXGMWWWXLQDTQO-UHFFFAOYSA-N
MW361.54 g/mol
LogP3.94
Rot. Bonds5

About 2-[1-(4-methyl-6-pyrrolidin-1-yl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine

2-[1-(4-methyl-6-pyrrolidin-1-yl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine (PubChem CID 54290650) has the molecular formula C17H23N5S2 and a molecular weight of 361.54 g/mol. Its IUPAC name is 2-[1-(4-methyl-6-pyrrolidin-1-yl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-(4-methyl-6-pyrrolidin-1-yl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
PubChem CID54290650
Molecular FormulaC17H23N5S2
Molecular Weight361.54 g/mol
Exact Mass361.14
IUPAC Name2-[1-(4-methyl-6-pyrrolidin-1-yl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(N)nc(SC(C)c2cc(C)cc(N3CCCC3)n2)n1
InChIInChI=1S/C17H23N5S2/c1-11-8-13(19-15(9-11)22-6-4-5-7-22)12(2)24-17-20-14(18)10-16(21-17)23-3/h8-10,12H,4-7H2,1-3H3,(H2,18,20,21)
InChIKeyRXGMWWWXLQDTQO-UHFFFAOYSA-N
XLogP3.94
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.54
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-(4-methyl-6-pyrrolidin-1-yl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine with MolForge

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Related Compounds

4-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyridine
CID 156652207
2-[1-(2-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
CID 23293850
2-[1-(3-bromothieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
CID 23293969
6-methylsulfanyl-2-[1-[1-methyl-3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine
CID 23293979
2-[1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
CID 23294068
2-methyl-6-methylsulfanylpyrimidin-4-amine
CID 80885206
4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-2-amine
CID 53233904
2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-amine
CID 77231452
4-(azocan-1-yl)-6-methylpyrimidin-2-amine
CID 11521403
2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847671
6-chloro-2-[1-(7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidin-4-amine
CID 18799978
2-(cyclohexen-1-ylmethylsulfanyl)-6-methylsulfanylpyrimidin-4-amine
CID 23293993

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-6-pyrrolidin-1-yl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 2-[1-(4-methyl-6-pyrrolidin-1-yl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine (CID 54290650) is 2-[1-(4-methyl-6-pyrrolidin-1-yl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-[1-(4-methyl-6-pyrrolidin-1-yl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2-[1-(4-methyl-6-pyrrolidin-1-yl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine is CSc1cc(N)nc(SC(C)c2cc(C)cc(N3CCCC3)n2)n1.
What is the InChIKey of 2-[1-(4-methyl-6-pyrrolidin-1-yl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is RXGMWWWXLQDTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5S2/c1-11-8-13(19-15(9-11)22-6-4-5-7-22)12(2)24-17-20-14(18)10-16(21-17)23-3/h8-10,12H,4-7H2,1-3H3,(H2,18,20,21).
What are the key properties of 2-[1-(4-methyl-6-pyrrolidin-1-yl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine?
2-[1-(4-methyl-6-pyrrolidin-1-yl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 361.54 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-6-pyrrolidin-1-yl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 54290650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).