2-methyl-4-[4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one

C16H23N5O2 — CID 136844529

IUPAC2-methyl-4-[4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1nc(C2CN(Cc3ccnn3C(C)C)CCO2)cc(=O)[nH]1
InChIInChI=1S/C16H23N5O2/c1-11(2)21-13(4-5-17-21)9-20-6-7-23-15(10-20)14-8-16(22)19-12(3)18-14/h4-5,8,11,15H,6-7,9-10H2,1-3H3,(H,18,19,22)
InChIKeyMRILGLUETOTPKH-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.43
Rot. Bonds4

About 2-methyl-4-[4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one

2-methyl-4-[4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one (PubChem CID 136844529) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-methyl-4-[4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
PubChem CID136844529
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name2-methyl-4-[4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1nc(C2CN(Cc3ccnn3C(C)C)CCO2)cc(=O)[nH]1
InChIInChI=1S/C16H23N5O2/c1-11(2)21-13(4-5-17-21)9-20-6-7-23-15(10-20)14-8-16(22)19-12(3)18-14/h4-5,8,11,15H,6-7,9-10H2,1-3H3,(H,18,19,22)
InChIKeyMRILGLUETOTPKH-UHFFFAOYSA-N
XLogP1.43
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one (CID 136844529) is 2-methyl-4-[4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one is Cc1nc(C2CN(Cc3ccnn3C(C)C)CCO2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is MRILGLUETOTPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11(2)21-13(4-5-17-21)9-20-6-7-23-15(10-20)14-8-16(22)19-12(3)18-14/h4-5,8,11,15H,6-7,9-10H2,1-3H3,(H,18,19,22).
What are the key properties of 2-methyl-4-[4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one?
2-methyl-4-[4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 317.39 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136844529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).