(6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one

C16H18N4O2S — CID 59386845

IUPAC(6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCOc1cncc(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1
InChIInChI=1S/C16H18N4O2S/c1-16(6-14(21)20(2)15(17)19-16)13-5-11(9-23-13)10-4-12(22-3)8-18-7-10/h4-5,7-9H,6H2,1-3H3,(H2,17,19)/t16-/m0/s1
InChIKeyYCWYONUYKIHEDY-INIZCTEOSA-N
MW330.41 g/mol
LogP2.21
Rot. Bonds3

About (6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one

(6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 59386845) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is (6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID59386845
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name(6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCOc1cncc(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1
InChIInChI=1S/C16H18N4O2S/c1-16(6-14(21)20(2)15(17)19-16)13-5-11(9-23-13)10-4-12(22-3)8-18-7-10/h4-5,7-9H,6H2,1-3H3,(H2,17,19)/t16-/m0/s1
InChIKeyYCWYONUYKIHEDY-INIZCTEOSA-N
XLogP2.21
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 59386845) is (6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one is COc1cncc(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1.
What is the InChIKey of (6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is YCWYONUYKIHEDY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-16(6-14(21)20(2)15(17)19-16)13-5-11(9-23-13)10-4-12(22-3)8-18-7-10/h4-5,7-9H,6H2,1-3H3,(H2,17,19)/t16-/m0/s1.
What are the key properties of (6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 330.41 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 59386845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).