4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one

C11H19IN4O — CID 136978684

IUPAC4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCCN(CC(C)(C)CN)c1nc[nH]c(=O)c1I
InChIInChI=1S/C11H19IN4O/c1-4-16(6-11(2,3)5-13)9-8(12)10(17)15-7-14-9/h7H,4-6,13H2,1-3H3,(H,14,15,17)
InChIKeyULOIEDOCNYWZQF-UHFFFAOYSA-N
MW350.20 g/mol
LogP1.19
Rot. Bonds5

About 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one

4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136978684) has the molecular formula C11H19IN4O and a molecular weight of 350.20 g/mol. Its IUPAC name is 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136978684
Molecular FormulaC11H19IN4O
Molecular Weight350.20 g/mol
Exact Mass350.06
IUPAC Name4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCCN(CC(C)(C)CN)c1nc[nH]c(=O)c1I
InChIInChI=1S/C11H19IN4O/c1-4-16(6-11(2,3)5-13)9-8(12)10(17)15-7-14-9/h7H,4-6,13H2,1-3H3,(H,14,15,17)
InChIKeyULOIEDOCNYWZQF-UHFFFAOYSA-N
XLogP1.19
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 51.19
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

4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136978681
4-[(3-amino-2-methylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136972771
4-[benzyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136970724
5-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136979773
methyl 3-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 137007573
4-[bis(2-ethoxyethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136958061
4-[2-bromoethyl(butyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136971985
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136737805
4-[2-chloroethyl(2,2,2-trifluoroethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136737832
4-[(4-aminophenyl)methyl-propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136979283
4-(N-ethylanilino)-5-iodo-1H-pyrimidin-6-one
CID 136970661
4-[butyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136993915

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one (CID 136978684) is 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one is CCN(CC(C)(C)CN)c1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is ULOIEDOCNYWZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19IN4O/c1-4-16(6-11(2,3)5-13)9-8(12)10(17)15-7-14-9/h7H,4-6,13H2,1-3H3,(H,14,15,17).
What are the key properties of 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one?
4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 350.20 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136978684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).