ethyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate

C18H20N6O3 — CID 25138084

IUPACethyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate
SMILESCCOC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C18H20N6O3/c1-5-27-18(25)22-16-8-15(13-7-14(26-4)10-19-9-13)20-17(21-16)24-12(3)6-11(2)23-24/h6-10H,5H2,1-4H3,(H,20,21,22,25)
InChIKeyLZPFERLGKNQAQE-UHFFFAOYSA-N
MW368.40 g/mol
LogP2.92
Rot. Bonds5

About ethyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate

ethyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate (PubChem CID 25138084) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is ethyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate
PubChem CID25138084
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Nameethyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate
SMILESCCOC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C18H20N6O3/c1-5-27-18(25)22-16-8-15(13-7-14(26-4)10-19-9-13)20-17(21-16)24-12(3)6-11(2)23-24/h6-10H,5H2,1-4H3,(H,20,21,22,25)
InChIKeyLZPFERLGKNQAQE-UHFFFAOYSA-N
XLogP2.92
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate 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 ethyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate?
The IUPAC name of ethyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate (CID 25138084) is ethyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate is CCOC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of ethyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate?
The InChIKey is LZPFERLGKNQAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-5-27-18(25)22-16-8-15(13-7-14(26-4)10-19-9-13)20-17(21-16)24-12(3)6-11(2)23-24/h6-10H,5H2,1-4H3,(H,20,21,22,25).
What are the key properties of ethyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate?
ethyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate has a molecular weight of 368.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate is sourced from PubChem (CID 25138084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).