4-[(1-ethylpyrazol-4-yl)amino]-5-iodo-1H-pyrimidin-6-one

C9H10IN5O — CID 136956113

IUPAC4-[(1-ethylpyrazol-4-yl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCn1cc(Nc2nc[nH]c(=O)c2I)cn1
InChIInChI=1S/C9H10IN5O/c1-2-15-4-6(3-13-15)14-8-7(10)9(16)12-5-11-8/h3-5H,2H2,1H3,(H2,11,12,14,16)
InChIKeyLXRDSUCRCNUBOV-UHFFFAOYSA-N
MW331.12 g/mol
LogP1.33
Rot. Bonds3

About 4-[(1-ethylpyrazol-4-yl)amino]-5-iodo-1H-pyrimidin-6-one

4-[(1-ethylpyrazol-4-yl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136956113) has the molecular formula C9H10IN5O and a molecular weight of 331.12 g/mol. Its IUPAC name is 4-[(1-ethylpyrazol-4-yl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-ethylpyrazol-4-yl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136956113
Molecular FormulaC9H10IN5O
Molecular Weight331.12 g/mol
Exact Mass330.99
IUPAC Name4-[(1-ethylpyrazol-4-yl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCn1cc(Nc2nc[nH]c(=O)c2I)cn1
InChIInChI=1S/C9H10IN5O/c1-2-15-4-6(3-13-15)14-8-7(10)9(16)12-5-11-8/h3-5H,2H2,1H3,(H2,11,12,14,16)
InChIKeyLXRDSUCRCNUBOV-UHFFFAOYSA-N
XLogP1.33
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.12
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-iodo-4-(3,4,5-trifluoroanilino)-1H-pyrimidin-6-one
CID 136971247
5-amino-4-[(1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one
CID 136974016
N-(1-ethylpyrazol-4-yl)-3,5-difluoropyridin-2-amine
CID 112675617
4-(5-bromo-2-methylanilino)-5-iodo-1H-pyrimidin-6-one
CID 136970874
1-[(1-ethylpyrazol-4-yl)amino]isoquinoline-4-carboxylic acid
CID 106766574
5-iodo-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136956954
N-(1-ethylpyrazol-4-yl)-3-fluoropyridin-2-amine
CID 62732475
N-(1-ethylpyrazol-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686273
4-[(1-ethylpyrazol-4-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136956114
4-(1-chlorobutan-2-ylamino)-5-iodo-1H-pyrimidin-6-one
CID 136971853
5-iodo-4-(3-methylsulfanylpropylamino)-1H-pyrimidin-6-one
CID 136975807
N,1-diethylpyrazol-4-amine
CID 43543394

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrazol-4-yl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-ethylpyrazol-4-yl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136956113) is 4-[(1-ethylpyrazol-4-yl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-ethylpyrazol-4-yl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-ethylpyrazol-4-yl)amino]-5-iodo-1H-pyrimidin-6-one is CCn1cc(Nc2nc[nH]c(=O)c2I)cn1.
What is the InChIKey of 4-[(1-ethylpyrazol-4-yl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is LXRDSUCRCNUBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN5O/c1-2-15-4-6(3-13-15)14-8-7(10)9(16)12-5-11-8/h3-5H,2H2,1H3,(H2,11,12,14,16).
What are the key properties of 4-[(1-ethylpyrazol-4-yl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[(1-ethylpyrazol-4-yl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 331.12 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrazol-4-yl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136956113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).