[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone

C15H20N6O2 — CID 110271878

IUPAC[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCNc1cc(C2CN(C(=O)c3ccn(C)n3)CCO2)nc(C)n1
InChIInChI=1S/C15H20N6O2/c1-10-17-12(8-14(16-2)18-10)13-9-21(6-7-23-13)15(22)11-4-5-20(3)19-11/h4-5,8,13H,6-7,9H2,1-3H3,(H,16,17,18)
InChIKeyKOZRAVZUSZVWGO-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.77
Rot. Bonds3

About [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone

[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 110271878) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID110271878
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCNc1cc(C2CN(C(=O)c3ccn(C)n3)CCO2)nc(C)n1
InChIInChI=1S/C15H20N6O2/c1-10-17-12(8-14(16-2)18-10)13-9-21(6-7-23-13)15(22)11-4-5-20(3)19-11/h4-5,8,13H,6-7,9H2,1-3H3,(H,16,17,18)
InChIKeyKOZRAVZUSZVWGO-UHFFFAOYSA-N
XLogP0.77
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone (CID 110271878) is [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone is CNc1cc(C2CN(C(=O)c3ccn(C)n3)CCO2)nc(C)n1.
What is the InChIKey of [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is KOZRAVZUSZVWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-10-17-12(8-14(16-2)18-10)13-9-21(6-7-23-13)15(22)11-4-5-20(3)19-11/h4-5,8,13H,6-7,9H2,1-3H3,(H,16,17,18).
What are the key properties of [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone?
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 316.37 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 110271878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).