(6S)-2-amino-3,6-dimethyl-6-(1-methyl-3-thiophen-2-ylindol-5-yl)-5H-pyrimidin-4-one

C19H20N4OS — CID 59388514

IUPAC(6S)-2-amino-3,6-dimethyl-6-(1-methyl-3-thiophen-2-ylindol-5-yl)-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2ccc3c(c2)c(-c2cccs2)cn3C)N=C1N
InChIInChI=1S/C19H20N4OS/c1-19(10-17(24)23(3)18(20)21-19)12-6-7-15-13(9-12)14(11-22(15)2)16-5-4-8-25-16/h4-9,11H,10H2,1-3H3,(H2,20,21)/t19-/m0/s1
InChIKeyIOUUWYGFFYTNGT-IBGZPJMESA-N
MW352.46 g/mol
LogP3.30
Rot. Bonds2

About (6S)-2-amino-3,6-dimethyl-6-(1-methyl-3-thiophen-2-ylindol-5-yl)-5H-pyrimidin-4-one

(6S)-2-amino-3,6-dimethyl-6-(1-methyl-3-thiophen-2-ylindol-5-yl)-5H-pyrimidin-4-one (PubChem CID 59388514) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is (6S)-2-amino-3,6-dimethyl-6-(1-methyl-3-thiophen-2-ylindol-5-yl)-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-3,6-dimethyl-6-(1-methyl-3-thiophen-2-ylindol-5-yl)-5H-pyrimidin-4-one
PubChem CID59388514
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name(6S)-2-amino-3,6-dimethyl-6-(1-methyl-3-thiophen-2-ylindol-5-yl)-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2ccc3c(c2)c(-c2cccs2)cn3C)N=C1N
InChIInChI=1S/C19H20N4OS/c1-19(10-17(24)23(3)18(20)21-19)12-6-7-15-13(9-12)14(11-22(15)2)16-5-4-8-25-16/h4-9,11H,10H2,1-3H3,(H2,20,21)/t19-/m0/s1
InChIKeyIOUUWYGFFYTNGT-IBGZPJMESA-N
XLogP3.30
TPSA63.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-3,6-dimethyl-6-(1-methyl-3-thiophen-2-ylindol-5-yl)-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-3,6-dimethyl-6-(1-methyl-3-thiophen-2-ylindol-5-yl)-5H-pyrimidin-4-one (CID 59388514) is (6S)-2-amino-3,6-dimethyl-6-(1-methyl-3-thiophen-2-ylindol-5-yl)-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-3,6-dimethyl-6-(1-methyl-3-thiophen-2-ylindol-5-yl)-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-3,6-dimethyl-6-(1-methyl-3-thiophen-2-ylindol-5-yl)-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(c2ccc3c(c2)c(-c2cccs2)cn3C)N=C1N.
What is the InChIKey of (6S)-2-amino-3,6-dimethyl-6-(1-methyl-3-thiophen-2-ylindol-5-yl)-5H-pyrimidin-4-one?
The InChIKey is IOUUWYGFFYTNGT-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20N4OS/c1-19(10-17(24)23(3)18(20)21-19)12-6-7-15-13(9-12)14(11-22(15)2)16-5-4-8-25-16/h4-9,11H,10H2,1-3H3,(H2,20,21)/t19-/m0/s1.
What are the key properties of (6S)-2-amino-3,6-dimethyl-6-(1-methyl-3-thiophen-2-ylindol-5-yl)-5H-pyrimidin-4-one?
(6S)-2-amino-3,6-dimethyl-6-(1-methyl-3-thiophen-2-ylindol-5-yl)-5H-pyrimidin-4-one has a molecular weight of 352.46 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-3,6-dimethyl-6-(1-methyl-3-thiophen-2-ylindol-5-yl)-5H-pyrimidin-4-one is sourced from PubChem (CID 59388514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).