2-methyl-4-[(3S)-4-(2-pyrazol-1-ylacetyl)morpholin-3-yl]-1H-pyrimidin-6-one

C14H17N5O3 — CID 137166586

IUPAC2-methyl-4-[(3S)-4-(2-pyrazol-1-ylacetyl)morpholin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@H]2COCCN2C(=O)Cn2cccn2)cc(=O)[nH]1
InChIInChI=1S/C14H17N5O3/c1-10-16-11(7-13(20)17-10)12-9-22-6-5-19(12)14(21)8-18-4-2-3-15-18/h2-4,7,12H,5-6,8-9H2,1H3,(H,16,17,20)/t12-/m1/s1
InChIKeyKNCDXRUQCOKWNR-GFCCVEGCSA-N
MW303.32 g/mol
LogP-0.13
Rot. Bonds3

About 2-methyl-4-[(3S)-4-(2-pyrazol-1-ylacetyl)morpholin-3-yl]-1H-pyrimidin-6-one

2-methyl-4-[(3S)-4-(2-pyrazol-1-ylacetyl)morpholin-3-yl]-1H-pyrimidin-6-one (PubChem CID 137166586) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-methyl-4-[(3S)-4-(2-pyrazol-1-ylacetyl)morpholin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(3S)-4-(2-pyrazol-1-ylacetyl)morpholin-3-yl]-1H-pyrimidin-6-one
PubChem CID137166586
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name2-methyl-4-[(3S)-4-(2-pyrazol-1-ylacetyl)morpholin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@H]2COCCN2C(=O)Cn2cccn2)cc(=O)[nH]1
InChIInChI=1S/C14H17N5O3/c1-10-16-11(7-13(20)17-10)12-9-22-6-5-19(12)14(21)8-18-4-2-3-15-18/h2-4,7,12H,5-6,8-9H2,1H3,(H,16,17,20)/t12-/m1/s1
InChIKeyKNCDXRUQCOKWNR-GFCCVEGCSA-N
XLogP-0.13
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3S)-4-(2-pyrazol-1-ylacetyl)morpholin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(3S)-4-(2-pyrazol-1-ylacetyl)morpholin-3-yl]-1H-pyrimidin-6-one (CID 137166586) is 2-methyl-4-[(3S)-4-(2-pyrazol-1-ylacetyl)morpholin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(3S)-4-(2-pyrazol-1-ylacetyl)morpholin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(3S)-4-(2-pyrazol-1-ylacetyl)morpholin-3-yl]-1H-pyrimidin-6-one is Cc1nc([C@H]2COCCN2C(=O)Cn2cccn2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(3S)-4-(2-pyrazol-1-ylacetyl)morpholin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is KNCDXRUQCOKWNR-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-10-16-11(7-13(20)17-10)12-9-22-6-5-19(12)14(21)8-18-4-2-3-15-18/h2-4,7,12H,5-6,8-9H2,1H3,(H,16,17,20)/t12-/m1/s1.
What are the key properties of 2-methyl-4-[(3S)-4-(2-pyrazol-1-ylacetyl)morpholin-3-yl]-1H-pyrimidin-6-one?
2-methyl-4-[(3S)-4-(2-pyrazol-1-ylacetyl)morpholin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 303.32 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3S)-4-(2-pyrazol-1-ylacetyl)morpholin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137166586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).