4-cyclopentyl-2-[2-(diethylamino)ethyl]-5-iodo-1H-pyrimidin-6-one

C15H24IN3O — CID 136729870

IUPAC4-cyclopentyl-2-[2-(diethylamino)ethyl]-5-iodo-1H-pyrimidin-6-one
SMILESCCN(CC)CCc1nc(C2CCCC2)c(I)c(=O)[nH]1
InChIInChI=1S/C15H24IN3O/c1-3-19(4-2)10-9-12-17-14(11-7-5-6-8-11)13(16)15(20)18-12/h11H,3-10H2,1-2H3,(H,17,18,20)
InChIKeyNHDLKFQFCJOOJR-UHFFFAOYSA-N
MW389.28 g/mol
LogP2.92
Rot. Bonds6

About 4-cyclopentyl-2-[2-(diethylamino)ethyl]-5-iodo-1H-pyrimidin-6-one

4-cyclopentyl-2-[2-(diethylamino)ethyl]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136729870) has the molecular formula C15H24IN3O and a molecular weight of 389.28 g/mol. Its IUPAC name is 4-cyclopentyl-2-[2-(diethylamino)ethyl]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-2-[2-(diethylamino)ethyl]-5-iodo-1H-pyrimidin-6-one
PubChem CID136729870
Molecular FormulaC15H24IN3O
Molecular Weight389.28 g/mol
Exact Mass389.10
IUPAC Name4-cyclopentyl-2-[2-(diethylamino)ethyl]-5-iodo-1H-pyrimidin-6-one
SMILESCCN(CC)CCc1nc(C2CCCC2)c(I)c(=O)[nH]1
InChIInChI=1S/C15H24IN3O/c1-3-19(4-2)10-9-12-17-14(11-7-5-6-8-11)13(16)15(20)18-12/h11H,3-10H2,1-2H3,(H,17,18,20)
InChIKeyNHDLKFQFCJOOJR-UHFFFAOYSA-N
XLogP2.92
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 52.92
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

2-(chloromethyl)-4-cyclopentyl-5-iodo-1H-pyrimidin-6-one
CID 136729885
2-[2-(diethylamino)ethyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135968155
4-cyclopentyl-2-cyclopropyl-5-iodo-1H-pyrimidin-6-one
CID 136729802
4-cyclopentyl-5-iodo-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one
CID 136729851
4-cyclopropyl-5-iodo-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730225
4-cyclopropyl-5-iodo-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 136730224
5-bromo-4-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidin-6-one
CID 136964464
4-cyclopentyl-2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one
CID 136997924
5-bromo-4-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842481
3-[2-[2-(diethylamino)ethyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoic acid
CID 135973631
4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 136729850
4-cyclopentyl-5-iodo-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136729854

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-[2-(diethylamino)ethyl]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-2-[2-(diethylamino)ethyl]-5-iodo-1H-pyrimidin-6-one (CID 136729870) is 4-cyclopentyl-2-[2-(diethylamino)ethyl]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-2-[2-(diethylamino)ethyl]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-2-[2-(diethylamino)ethyl]-5-iodo-1H-pyrimidin-6-one is CCN(CC)CCc1nc(C2CCCC2)c(I)c(=O)[nH]1.
What is the InChIKey of 4-cyclopentyl-2-[2-(diethylamino)ethyl]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is NHDLKFQFCJOOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN3O/c1-3-19(4-2)10-9-12-17-14(11-7-5-6-8-11)13(16)15(20)18-12/h11H,3-10H2,1-2H3,(H,17,18,20).
What are the key properties of 4-cyclopentyl-2-[2-(diethylamino)ethyl]-5-iodo-1H-pyrimidin-6-one?
4-cyclopentyl-2-[2-(diethylamino)ethyl]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 389.28 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-[2-(diethylamino)ethyl]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136729870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).