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

C18H22N4O2S — CID 89116021

IUPAC(6S)-2-amino-5-ethyl-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCCC1C(=O)N(C)C(N)=N[C@]1(C)c1cc(-c2cncc(OC)c2)cs1
InChIInChI=1S/C18H22N4O2S/c1-5-14-16(23)22(3)17(19)21-18(14,2)15-7-12(10-25-15)11-6-13(24-4)9-20-8-11/h6-10,14H,5H2,1-4H3,(H2,19,21)/t14?,18-/m0/s1
InChIKeyHRPHYKYKAYAQJW-IBYPIGCZSA-N
MW358.47 g/mol
LogP2.85
Rot. Bonds4

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

(6S)-2-amino-5-ethyl-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 89116021) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is (6S)-2-amino-5-ethyl-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-5-ethyl-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID89116021
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name(6S)-2-amino-5-ethyl-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCCC1C(=O)N(C)C(N)=N[C@]1(C)c1cc(-c2cncc(OC)c2)cs1
InChIInChI=1S/C18H22N4O2S/c1-5-14-16(23)22(3)17(19)21-18(14,2)15-7-12(10-25-15)11-6-13(24-4)9-20-8-11/h6-10,14H,5H2,1-4H3,(H2,19,21)/t14?,18-/m0/s1
InChIKeyHRPHYKYKAYAQJW-IBYPIGCZSA-N
XLogP2.85
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-5-ethyl-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-5-ethyl-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 89116021) is (6S)-2-amino-5-ethyl-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-5-ethyl-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-5-ethyl-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one is CCC1C(=O)N(C)C(N)=N[C@]1(C)c1cc(-c2cncc(OC)c2)cs1.
What is the InChIKey of (6S)-2-amino-5-ethyl-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is HRPHYKYKAYAQJW-IBYPIGCZSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-5-14-16(23)22(3)17(19)21-18(14,2)15-7-12(10-25-15)11-6-13(24-4)9-20-8-11/h6-10,14H,5H2,1-4H3,(H2,19,21)/t14?,18-/m0/s1.
What are the key properties of (6S)-2-amino-5-ethyl-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-5-ethyl-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 358.47 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-5-ethyl-6-[4-(5-methoxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 89116021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).