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

C10H17IN4O — CID 136972771

IUPAC4-[(3-amino-2-methylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCCN(CC(C)CN)c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H17IN4O/c1-3-15(5-7(2)4-12)9-8(11)10(16)14-6-13-9/h6-7H,3-5,12H2,1-2H3,(H,13,14,16)
InChIKeySSYWOTXIHLIJBG-UHFFFAOYSA-N
MW336.18 g/mol
LogP0.80
Rot. Bonds5

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

4-[(3-amino-2-methylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136972771) has the molecular formula C10H17IN4O and a molecular weight of 336.18 g/mol. Its IUPAC name is 4-[(3-amino-2-methylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-amino-2-methylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136972771
Molecular FormulaC10H17IN4O
Molecular Weight336.18 g/mol
Exact Mass336.04
IUPAC Name4-[(3-amino-2-methylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCCN(CC(C)CN)c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H17IN4O/c1-3-15(5-7(2)4-12)9-8(11)10(16)14-6-13-9/h6-7H,3-5,12H2,1-2H3,(H,13,14,16)
InChIKeySSYWOTXIHLIJBG-UHFFFAOYSA-N
XLogP0.80
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 50.80
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-methylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136972773
4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136978684
N'-ethyl-2-methyl-N'-(7H-purin-6-yl)propane-1,3-diamine
CID 54987903
4-[benzyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136970724
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-(N-ethylanilino)-5-iodo-1H-pyrimidin-6-one
CID 136970661
N'-ethyl-N'-(5-iodopyrimidin-2-yl)-2-methylpropane-1,3-diamine
CID 116648254
4-[2-bromoethyl(butyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136971985
4-[(4-aminophenyl)methyl-propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136979283
4-[2-bromoethyl(propan-2-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136971962
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-methylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-amino-2-methylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one (CID 136972771) is 4-[(3-amino-2-methylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-amino-2-methylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-amino-2-methylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one is CCN(CC(C)CN)c1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[(3-amino-2-methylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is SSYWOTXIHLIJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IN4O/c1-3-15(5-7(2)4-12)9-8(11)10(16)14-6-13-9/h6-7H,3-5,12H2,1-2H3,(H,13,14,16).
What are the key properties of 4-[(3-amino-2-methylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one?
4-[(3-amino-2-methylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 336.18 g/mol, XLogP of 0.80, 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-methylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136972771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).