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

C20H23N7O3 — CID 25069600

IUPACmethyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]carbamate
SMILESCOC(=O)Nc1cc(-c2cccc(N3CCOCC3)n2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C20H23N7O3/c1-13-11-14(2)27(25-13)19-22-16(12-17(23-19)24-20(28)29-3)15-5-4-6-18(21-15)26-7-9-30-10-8-26/h4-6,11-12H,7-10H2,1-3H3,(H,22,23,24,28)
InChIKeyAQWDSOXKWDFBEN-UHFFFAOYSA-N
MW409.45 g/mol
LogP2.36
Rot. Bonds4

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

methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]carbamate (PubChem CID 25069600) has the molecular formula C20H23N7O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]carbamate
PubChem CID25069600
Molecular FormulaC20H23N7O3
Molecular Weight409.45 g/mol
Exact Mass409.19
IUPAC Namemethyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]carbamate
SMILESCOC(=O)Nc1cc(-c2cccc(N3CCOCC3)n2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C20H23N7O3/c1-13-11-14(2)27(25-13)19-22-16(12-17(23-19)24-20(28)29-3)15-5-4-6-18(21-15)26-7-9-30-10-8-26/h4-6,11-12H,7-10H2,1-3H3,(H,22,23,24,28)
InChIKeyAQWDSOXKWDFBEN-UHFFFAOYSA-N
XLogP2.36
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]carbamate?
The IUPAC name of methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]carbamate (CID 25069600) is methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]carbamate?
The canonical SMILES for methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]carbamate is COC(=O)Nc1cc(-c2cccc(N3CCOCC3)n2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]carbamate?
The InChIKey is AQWDSOXKWDFBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O3/c1-13-11-14(2)27(25-13)19-22-16(12-17(23-19)24-20(28)29-3)15-5-4-6-18(21-15)26-7-9-30-10-8-26/h4-6,11-12H,7-10H2,1-3H3,(H,22,23,24,28).
What are the key properties of methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]carbamate?
methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]carbamate has a molecular weight of 409.45 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]carbamate is sourced from PubChem (CID 25069600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).