4-amino-8-[4-(1-hydroxyethyl)-2-methoxypyrimidin-5-yl]cinnoline-3-carboxamide

C16H16N6O3 — CID 70275502

IUPAC4-amino-8-[4-(1-hydroxyethyl)-2-methoxypyrimidin-5-yl]cinnoline-3-carboxamide
SMILESCOc1ncc(-c2cccc3c(N)c(C(N)=O)nnc23)c(C(C)O)n1
InChIInChI=1S/C16H16N6O3/c1-7(23)12-10(6-19-16(20-12)25-2)8-4-3-5-9-11(17)14(15(18)24)22-21-13(8)9/h3-7,23H,1-2H3,(H2,17,21)(H2,18,24)
InChIKeyJMFDBZXIYLZGBL-UHFFFAOYSA-N
MW340.34 g/mol
LogP0.83
Rot. Bonds4

About 4-amino-8-[4-(1-hydroxyethyl)-2-methoxypyrimidin-5-yl]cinnoline-3-carboxamide

4-amino-8-[4-(1-hydroxyethyl)-2-methoxypyrimidin-5-yl]cinnoline-3-carboxamide (PubChem CID 70275502) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is 4-amino-8-[4-(1-hydroxyethyl)-2-methoxypyrimidin-5-yl]cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-[4-(1-hydroxyethyl)-2-methoxypyrimidin-5-yl]cinnoline-3-carboxamide
PubChem CID70275502
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC Name4-amino-8-[4-(1-hydroxyethyl)-2-methoxypyrimidin-5-yl]cinnoline-3-carboxamide
SMILESCOc1ncc(-c2cccc3c(N)c(C(N)=O)nnc23)c(C(C)O)n1
InChIInChI=1S/C16H16N6O3/c1-7(23)12-10(6-19-16(20-12)25-2)8-4-3-5-9-11(17)14(15(18)24)22-21-13(8)9/h3-7,23H,1-2H3,(H2,17,21)(H2,18,24)
InChIKeyJMFDBZXIYLZGBL-UHFFFAOYSA-N
XLogP0.83
TPSA150.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-amino-8-[4-(1-hydroxyethyl)-2-methoxypyrimidin-5-yl]cinnoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[4-(1-hydroxyethyl)-2-methoxypyrimidin-5-yl]cinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-[4-(1-hydroxyethyl)-2-methoxypyrimidin-5-yl]cinnoline-3-carboxamide (CID 70275502) is 4-amino-8-[4-(1-hydroxyethyl)-2-methoxypyrimidin-5-yl]cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-[4-(1-hydroxyethyl)-2-methoxypyrimidin-5-yl]cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-[4-(1-hydroxyethyl)-2-methoxypyrimidin-5-yl]cinnoline-3-carboxamide is COc1ncc(-c2cccc3c(N)c(C(N)=O)nnc23)c(C(C)O)n1.
What is the InChIKey of 4-amino-8-[4-(1-hydroxyethyl)-2-methoxypyrimidin-5-yl]cinnoline-3-carboxamide?
The InChIKey is JMFDBZXIYLZGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c1-7(23)12-10(6-19-16(20-12)25-2)8-4-3-5-9-11(17)14(15(18)24)22-21-13(8)9/h3-7,23H,1-2H3,(H2,17,21)(H2,18,24).
What are the key properties of 4-amino-8-[4-(1-hydroxyethyl)-2-methoxypyrimidin-5-yl]cinnoline-3-carboxamide?
4-amino-8-[4-(1-hydroxyethyl)-2-methoxypyrimidin-5-yl]cinnoline-3-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-[4-(1-hydroxyethyl)-2-methoxypyrimidin-5-yl]cinnoline-3-carboxamide is sourced from PubChem (CID 70275502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).