4-(tert-butylamino)-5-iodo-1H-pyrimidin-6-one

C8H12IN3O — CID 136957739

IUPAC4-(tert-butylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCC(C)(C)Nc1nc[nH]c(=O)c1I
InChIInChI=1S/C8H12IN3O/c1-8(2,3)12-6-5(9)7(13)11-4-10-6/h4H,1-3H3,(H2,10,11,12,13)
InChIKeyYKQRCGGQKZEWNS-UHFFFAOYSA-N
MW293.11 g/mol
LogP1.58
Rot. Bonds1

About 4-(tert-butylamino)-5-iodo-1H-pyrimidin-6-one

4-(tert-butylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136957739) has the molecular formula C8H12IN3O and a molecular weight of 293.11 g/mol. Its IUPAC name is 4-(tert-butylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(tert-butylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136957739
Molecular FormulaC8H12IN3O
Molecular Weight293.11 g/mol
Exact Mass293.00
IUPAC Name4-(tert-butylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCC(C)(C)Nc1nc[nH]c(=O)c1I
InChIInChI=1S/C8H12IN3O/c1-8(2,3)12-6-5(9)7(13)11-4-10-6/h4H,1-3H3,(H2,10,11,12,13)
InChIKeyYKQRCGGQKZEWNS-UHFFFAOYSA-N
XLogP1.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736701
5-iodo-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786690
5-Iodo-3-methyl-6-(methylamino)pyrimidin-4-one
CID 129972241
5-amino-4-(tert-butylamino)-1H-pyrimidin-6-one
CID 135709694
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671889
5-iodo-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one
CID 136679987
5-iodo-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757521
4-(2-cyclopropylpropan-2-ylamino)-5-iodo-1H-pyrimidin-6-one
CID 136870777
5-iodo-4-(pent-1-yn-3-ylamino)-1H-pyrimidin-6-one
CID 136880847
4-(4-aminopentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136902392
6-(Ethylamino)-5-iodopyrimidin-4(3H)-one
CID 136914103
5-iodo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
CID 136914200

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(tert-butylamino)-5-iodo-1H-pyrimidin-6-one (CID 136957739) is 4-(tert-butylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(tert-butylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(tert-butylamino)-5-iodo-1H-pyrimidin-6-one is CC(C)(C)Nc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-(tert-butylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is YKQRCGGQKZEWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12IN3O/c1-8(2,3)12-6-5(9)7(13)11-4-10-6/h4H,1-3H3,(H2,10,11,12,13).
What are the key properties of 4-(tert-butylamino)-5-iodo-1H-pyrimidin-6-one?
4-(tert-butylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 293.11 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136957739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).