2-[(dimethylamino)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one

C11H15N5O — CID 136980824

IUPAC2-[(dimethylamino)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCN(C)Cc1nc(-c2cnn(C)c2)cc(=O)[nH]1
InChIInChI=1S/C11H15N5O/c1-15(2)7-10-13-9(4-11(17)14-10)8-5-12-16(3)6-8/h4-6H,7H2,1-3H3,(H,13,14,17)
InChIKeyKXZLDNDQMKBZTA-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.23
Rot. Bonds3

About 2-[(dimethylamino)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one

2-[(dimethylamino)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 136980824) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID136980824
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name2-[(dimethylamino)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCN(C)Cc1nc(-c2cnn(C)c2)cc(=O)[nH]1
InChIInChI=1S/C11H15N5O/c1-15(2)7-10-13-9(4-11(17)14-10)8-5-12-16(3)6-8/h4-6H,7H2,1-3H3,(H,13,14,17)
InChIKeyKXZLDNDQMKBZTA-UHFFFAOYSA-N
XLogP0.23
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(dimethylamino)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one (CID 136980824) is 2-[(dimethylamino)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one is CN(C)Cc1nc(-c2cnn(C)c2)cc(=O)[nH]1.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is KXZLDNDQMKBZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-15(2)7-10-13-9(4-11(17)14-10)8-5-12-16(3)6-8/h4-6H,7H2,1-3H3,(H,13,14,17).
What are the key properties of 2-[(dimethylamino)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
2-[(dimethylamino)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 233.28 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136980824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).