7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-5-one

C10H11N5O — CID 136771932

IUPAC7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-5-one
SMILESCn1cc(-c2cc(=O)n3c(n2)NCC3)cn1
InChIInChI=1S/C10H11N5O/c1-14-6-7(5-12-14)8-4-9(16)15-3-2-11-10(15)13-8/h4-6H,2-3H2,1H3,(H,11,13)
InChIKeyOZJSZCUNIMMKMY-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.07
Rot. Bonds1

About 7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-5-one

7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 136771932) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID136771932
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-5-one
SMILESCn1cc(-c2cc(=O)n3c(n2)NCC3)cn1
InChIInChI=1S/C10H11N5O/c1-14-6-7(5-12-14)8-4-9(16)15-3-2-11-10(15)13-8/h4-6H,2-3H2,1H3,(H,11,13)
InChIKeyOZJSZCUNIMMKMY-UHFFFAOYSA-N
XLogP0.07
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-5-one
CID 165484516
6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one
CID 106515852
7-(3-methylpiperazin-1-yl)-2-(1-methylpyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 123177100
2-(2-aminopropan-2-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771917
2-(1-methylpyrazol-4-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
CID 139946194
2-(azepan-1-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771798
4-(1-methylpyrazol-4-yl)-2-(1-methylsulfonylethyl)-1H-pyrimidin-6-one
CID 136771755
5-(1-methylpyrazol-4-yl)-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92567025
2-(3-aminopentan-3-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771918
2-[amino(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136980837
6-(1-methylpyrazol-4-yl)-1H-1,5-naphthyridin-4-one
CID 139349136
2-[(dimethylamino)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136980824

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-5-one (CID 136771932) is 7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-5-one is Cn1cc(-c2cc(=O)n3c(n2)NCC3)cn1.
What is the InChIKey of 7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is OZJSZCUNIMMKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-14-6-7(5-12-14)8-4-9(16)15-3-2-11-10(15)13-8/h4-6H,2-3H2,1H3,(H,11,13).
What are the key properties of 7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-5-one?
7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 217.23 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 136771932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).