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

C10H17IN4O — CID 136857332

IUPAC4-[(4-amino-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCC(C)(CCN)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H17IN4O/c1-10(2,3-4-12)5-13-8-7(11)9(16)15-6-14-8/h6H,3-5,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyWMQYURDVQZMALK-UHFFFAOYSA-N
MW336.18 g/mol
LogP1.16
Rot. Bonds5

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

4-[(4-amino-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136857332) has the molecular formula C10H17IN4O and a molecular weight of 336.18 g/mol. Its IUPAC name is 4-[(4-amino-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-amino-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136857332
Molecular FormulaC10H17IN4O
Molecular Weight336.18 g/mol
Exact Mass336.04
IUPAC Name4-[(4-amino-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCC(C)(CCN)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H17IN4O/c1-10(2,3-4-12)5-13-8-7(11)9(16)15-6-14-8/h6H,3-5,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyWMQYURDVQZMALK-UHFFFAOYSA-N
XLogP1.16
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136689853
4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
CID 136704111
4-[(1-ethylcyclopentyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136723583
5-iodo-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723594
4-[3-(dimethylamino)propyl-ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136752197
4-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136755772
4-[(1-amino-3-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136757124
5-iodo-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757521
4-(2,2-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136768844
4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768846
5-amino-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768850
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136794223

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-amino-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136857332) is 4-[(4-amino-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-amino-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-amino-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one is CC(C)(CCN)CNc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[(4-amino-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is WMQYURDVQZMALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IN4O/c1-10(2,3-4-12)5-13-8-7(11)9(16)15-6-14-8/h6H,3-5,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-[(4-amino-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[(4-amino-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 336.18 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136857332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).