4-(3-amino-4-methylpyrazol-1-yl)-5-methoxy-1H-pyrimidin-6-one

C9H11N5O2 — CID 136979982

IUPAC4-(3-amino-4-methylpyrazol-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(-n2cc(C)c(N)n2)nc[nH]c1=O
InChIInChI=1S/C9H11N5O2/c1-5-3-14(13-7(5)10)8-6(16-2)9(15)12-4-11-8/h3-4H,1-2H3,(H2,10,13)(H,11,12,15)
InChIKeyDAWOGKBHQDXJNN-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.15
Rot. Bonds2

About 4-(3-amino-4-methylpyrazol-1-yl)-5-methoxy-1H-pyrimidin-6-one

4-(3-amino-4-methylpyrazol-1-yl)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136979982) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 4-(3-amino-4-methylpyrazol-1-yl)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-amino-4-methylpyrazol-1-yl)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136979982
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name4-(3-amino-4-methylpyrazol-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(-n2cc(C)c(N)n2)nc[nH]c1=O
InChIInChI=1S/C9H11N5O2/c1-5-3-14(13-7(5)10)8-6(16-2)9(15)12-4-11-8/h3-4H,1-2H3,(H2,10,13)(H,11,12,15)
InChIKeyDAWOGKBHQDXJNN-UHFFFAOYSA-N
XLogP-0.15
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973276
4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136706910
4-(6-aminoindazol-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136979897
4-(3-hydroxy-3-methylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136979708
4-(3-hydroxyazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136979674
5-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 137009197
4-[4-(1-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136958232
4-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136979735
5-methoxy-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-6-one
CID 137009772
4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136972830
1-furo[3,2-c]pyridin-4-yl-4-methylpyrazol-3-amine
CID 106535479
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136954394

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-methylpyrazol-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-amino-4-methylpyrazol-1-yl)-5-methoxy-1H-pyrimidin-6-one (CID 136979982) is 4-(3-amino-4-methylpyrazol-1-yl)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-amino-4-methylpyrazol-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-amino-4-methylpyrazol-1-yl)-5-methoxy-1H-pyrimidin-6-one is COc1c(-n2cc(C)c(N)n2)nc[nH]c1=O.
What is the InChIKey of 4-(3-amino-4-methylpyrazol-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is DAWOGKBHQDXJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-5-3-14(13-7(5)10)8-6(16-2)9(15)12-4-11-8/h3-4H,1-2H3,(H2,10,13)(H,11,12,15).
What are the key properties of 4-(3-amino-4-methylpyrazol-1-yl)-5-methoxy-1H-pyrimidin-6-one?
4-(3-amino-4-methylpyrazol-1-yl)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 221.22 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-methylpyrazol-1-yl)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136979982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).