4-[benzyl(cyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one

C14H14IN3O — CID 136970813

IUPAC4-[benzyl(cyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N(Cc2ccccc2)C2CC2)c1I
InChIInChI=1S/C14H14IN3O/c15-12-13(16-9-17-14(12)19)18(11-6-7-11)8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,16,17,19)
InChIKeyUOXDCLIIOGGNFT-UHFFFAOYSA-N
MW367.19 g/mol
LogP2.54
Rot. Bonds4

About 4-[benzyl(cyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one

4-[benzyl(cyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136970813) has the molecular formula C14H14IN3O and a molecular weight of 367.19 g/mol. Its IUPAC name is 4-[benzyl(cyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[benzyl(cyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136970813
Molecular FormulaC14H14IN3O
Molecular Weight367.19 g/mol
Exact Mass367.02
IUPAC Name4-[benzyl(cyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N(Cc2ccccc2)C2CC2)c1I
InChIInChI=1S/C14H14IN3O/c15-12-13(16-9-17-14(12)19)18(11-6-7-11)8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,16,17,19)
InChIKeyUOXDCLIIOGGNFT-UHFFFAOYSA-N
XLogP2.54
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 52.54
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

4-[benzyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136970724
4-[(4-aminophenyl)methyl-cyclopropylamino]-5-bromo-1H-pyrimidin-6-one
CID 136979258
4-(N-ethylanilino)-5-iodo-1H-pyrimidin-6-one
CID 136970661
5-iodo-4-[methyl(pyridin-4-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136993976
4-[benzyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136970695
5-iodo-4-[(4-methoxyphenyl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136970981
2-[6-[benzyl(cyclopropyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137271933
5-iodo-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136970668
4-[cyclohexylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136957719
4-[3-[benzyl(methyl)amino]propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136973680
5-bromo-4-[cyclopropyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136970733
4-[(1,1-dioxothiolan-3-yl)-methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136970865

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(cyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[benzyl(cyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136970813) is 4-[benzyl(cyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[benzyl(cyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[benzyl(cyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(N(Cc2ccccc2)C2CC2)c1I.
What is the InChIKey of 4-[benzyl(cyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is UOXDCLIIOGGNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14IN3O/c15-12-13(16-9-17-14(12)19)18(11-6-7-11)8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,16,17,19).
What are the key properties of 4-[benzyl(cyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[benzyl(cyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 367.19 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(cyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136970813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).