4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one

C11H16IN3O — CID 136956038

IUPAC4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCCCCC2)c1I
InChIInChI=1S/C11H16IN3O/c12-9-10(13-7-14-11(9)16)15-8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H2,13,14,15,16)
InChIKeyHUTVROIAUILGHA-UHFFFAOYSA-N
MW333.17 g/mol
LogP2.51
Rot. Bonds2

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

4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136956038) has the molecular formula C11H16IN3O and a molecular weight of 333.17 g/mol. Its IUPAC name is 4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136956038
Molecular FormulaC11H16IN3O
Molecular Weight333.17 g/mol
Exact Mass333.03
IUPAC Name4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCCCCC2)c1I
InChIInChI=1S/C11H16IN3O/c12-9-10(13-7-14-11(9)16)15-8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H2,13,14,15,16)
InChIKeyHUTVROIAUILGHA-UHFFFAOYSA-N
XLogP2.51
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.51
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

4-[(3-aminocyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136977567
5-chloro-4-(cyclooctylamino)-1H-pyrimidin-6-one
CID 136973650
5-bromo-4-(cyclooctylamino)-1H-pyrimidin-6-one
CID 136955958
4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one
CID 137015485
4-[(2-hydroxycyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 137269982
5-chloro-4-(cyclobutylamino)-1H-pyrimidin-6-one
CID 136975373
4-[(2,3-dimethylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136956847
4-[(2-ethylcyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136857219
5-iodo-4-(pyrrolidin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136978824
N-cyclopropyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136956133
5-methoxy-4-[[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136989440
5-iodo-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754599

Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one (CID 136956038) is 4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(NC2CCCCCC2)c1I.
What is the InChIKey of 4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is HUTVROIAUILGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O/c12-9-10(13-7-14-11(9)16)15-8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H2,13,14,15,16).
What are the key properties of 4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one?
4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 333.17 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136956038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).