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

C17H18N6O3 — CID 25138083

IUPACmethyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate
SMILESCOC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H18N6O3/c1-10-5-11(2)23(22-10)16-19-14(7-15(20-16)21-17(24)26-4)12-6-13(25-3)9-18-8-12/h5-9H,1-4H3,(H,19,20,21,24)
InChIKeyOIGKTTFTKCPYQX-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.53
Rot. Bonds4

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

methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate (PubChem CID 25138083) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate
PubChem CID25138083
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC Namemethyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate
SMILESCOC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H18N6O3/c1-10-5-11(2)23(22-10)16-19-14(7-15(20-16)21-17(24)26-4)12-6-13(25-3)9-18-8-12/h5-9H,1-4H3,(H,19,20,21,24)
InChIKeyOIGKTTFTKCPYQX-UHFFFAOYSA-N
XLogP2.53
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate?
The IUPAC name of methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate (CID 25138083) is methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate?
The canonical SMILES for methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate is COC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate?
The InChIKey is OIGKTTFTKCPYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-10-5-11(2)23(22-10)16-19-14(7-15(20-16)21-17(24)26-4)12-6-13(25-3)9-18-8-12/h5-9H,1-4H3,(H,19,20,21,24).
What are the key properties of methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate?
methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate has a molecular weight of 354.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]carbamate is sourced from PubChem (CID 25138083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).