5-iodo-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one

C11H11IN4O — CID 136973979

IUPAC5-iodo-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one
SMILESCC(Nc1nc[nH]c(=O)c1I)c1ccccn1
InChIInChI=1S/C11H11IN4O/c1-7(8-4-2-3-5-13-8)16-10-9(12)11(17)15-6-14-10/h2-7H,1H3,(H2,14,15,16,17)
InChIKeyQRXJRHYFFNFDGP-UHFFFAOYSA-N
MW342.14 g/mol
LogP1.94
Rot. Bonds3

About 5-iodo-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one

5-iodo-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one (PubChem CID 136973979) has the molecular formula C11H11IN4O and a molecular weight of 342.14 g/mol. Its IUPAC name is 5-iodo-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one
PubChem CID136973979
Molecular FormulaC11H11IN4O
Molecular Weight342.14 g/mol
Exact Mass342.00
IUPAC Name5-iodo-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one
SMILESCC(Nc1nc[nH]c(=O)c1I)c1ccccn1
InChIInChI=1S/C11H11IN4O/c1-7(8-4-2-3-5-13-8)16-10-9(12)11(17)15-6-14-10/h2-7H,1H3,(H2,14,15,16,17)
InChIKeyQRXJRHYFFNFDGP-UHFFFAOYSA-N
XLogP1.94
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one
CID 136973977
6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine
CID 115669349
4-(5-hydroxypentan-2-ylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956973
4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one
CID 137015485
4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136901139
N-(1-iodoethyl)-1-pyridin-2-ylethanamine
CID 174262770
4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293
4-(1-pyridin-2-ylethylamino)phenol
CID 43742707
3,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43195401
2-methyl-5-(1-pyridin-2-ylethylamino)isoindole-1,3-dione
CID 43192235
2,3-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43196433
4-N-(1-pyridin-2-ylethyl)pyrimidine-4,5-diamine
CID 79916401

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one (CID 136973979) is 5-iodo-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one is CC(Nc1nc[nH]c(=O)c1I)c1ccccn1.
What is the InChIKey of 5-iodo-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one?
The InChIKey is QRXJRHYFFNFDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4O/c1-7(8-4-2-3-5-13-8)16-10-9(12)11(17)15-6-14-10/h2-7H,1H3,(H2,14,15,16,17).
What are the key properties of 5-iodo-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one?
5-iodo-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one has a molecular weight of 342.14 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).