4-ethyl-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one

C14H21IN2O2 — CID 136963968

IUPAC4-ethyl-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
SMILESCCc1nc(C2(OC)CCCCCC2)[nH]c(=O)c1I
InChIInChI=1S/C14H21IN2O2/c1-3-10-11(15)12(18)17-13(16-10)14(19-2)8-6-4-5-7-9-14/h3-9H2,1-2H3,(H,16,17,18)
InChIKeySRJGGIVFHOGZKZ-UHFFFAOYSA-N
MW376.24 g/mol
LogP3.13
Rot. Bonds3

About 4-ethyl-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one

4-ethyl-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one (PubChem CID 136963968) has the molecular formula C14H21IN2O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 4-ethyl-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
PubChem CID136963968
Molecular FormulaC14H21IN2O2
Molecular Weight376.24 g/mol
Exact Mass376.06
IUPAC Name4-ethyl-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
SMILESCCc1nc(C2(OC)CCCCCC2)[nH]c(=O)c1I
InChIInChI=1S/C14H21IN2O2/c1-3-10-11(15)12(18)17-13(16-10)14(19-2)8-6-4-5-7-9-14/h3-9H2,1-2H3,(H,16,17,18)
InChIKeySRJGGIVFHOGZKZ-UHFFFAOYSA-N
XLogP3.13
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(1-methoxycyclohexyl)-4-propyl-1H-pyrimidin-6-one
CID 136963886
5-iodo-2-(1-methoxy-3-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one
CID 136963915
5-bromo-2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136964025
2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one
CID 136963971
5-ethyl-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705687
2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136983398
2-(1-ethoxycyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136963792
4-amino-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one
CID 136960402
2-(1-ethoxycyclopentyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136963871
2-(1-methoxycyclopentyl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 136773820
2-(1-methoxycycloheptyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136963734
5-bromo-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136773826

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one (CID 136963968) is 4-ethyl-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one is CCc1nc(C2(OC)CCCCCC2)[nH]c(=O)c1I.
What is the InChIKey of 4-ethyl-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one?
The InChIKey is SRJGGIVFHOGZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2O2/c1-3-10-11(15)12(18)17-13(16-10)14(19-2)8-6-4-5-7-9-14/h3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 4-ethyl-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one?
4-ethyl-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one has a molecular weight of 376.24 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136963968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).