(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one

C14H22N4OS — CID 95940201

IUPAC(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one
SMILESCc1cc(N)nc(S[C@@H](C(=O)N2CCCC2)C(C)C)n1
InChIInChI=1S/C14H22N4OS/c1-9(2)12(13(19)18-6-4-5-7-18)20-14-16-10(3)8-11(15)17-14/h8-9,12H,4-7H2,1-3H3,(H2,15,16,17)/t12-/m1/s1
InChIKeyBSCHNMVNKPBCAH-GFCCVEGCSA-N
MW294.42 g/mol
LogP2.11
Rot. Bonds4

About (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one

(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 95940201) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one
PubChem CID95940201
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one
SMILESCc1cc(N)nc(S[C@@H](C(=O)N2CCCC2)C(C)C)n1
InChIInChI=1S/C14H22N4OS/c1-9(2)12(13(19)18-6-4-5-7-18)20-14-16-10(3)8-11(15)17-14/h8-9,12H,4-7H2,1-3H3,(H2,15,16,17)/t12-/m1/s1
InChIKeyBSCHNMVNKPBCAH-GFCCVEGCSA-N
XLogP2.11
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one (CID 95940201) is (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one is Cc1cc(N)nc(S[C@@H](C(=O)N2CCCC2)C(C)C)n1.
What is the InChIKey of (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is BSCHNMVNKPBCAH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-9(2)12(13(19)18-6-4-5-7-18)20-14-16-10(3)8-11(15)17-14/h8-9,12H,4-7H2,1-3H3,(H2,15,16,17)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one?
(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 294.42 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 95940201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).