4-[3-(cyclopropylmethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one

C11H16IN3O2 — CID 136689230

IUPAC4-[3-(cyclopropylmethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCOCC2CC2)c1I
InChIInChI=1S/C11H16IN3O2/c12-9-10(14-7-15-11(9)16)13-4-1-5-17-6-8-2-3-8/h7-8H,1-6H2,(H2,13,14,15,16)
InChIKeyDOGYHDUWWQHCGG-UHFFFAOYSA-N
MW349.17 g/mol
LogP1.60
Rot. Bonds7

About 4-[3-(cyclopropylmethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one

4-[3-(cyclopropylmethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136689230) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is 4-[3-(cyclopropylmethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(cyclopropylmethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136689230
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC Name4-[3-(cyclopropylmethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCOCC2CC2)c1I
InChIInChI=1S/C11H16IN3O2/c12-9-10(14-7-15-11(9)16)13-4-1-5-17-6-8-2-3-8/h7-8H,1-6H2,(H2,13,14,15,16)
InChIKeyDOGYHDUWWQHCGG-UHFFFAOYSA-N
XLogP1.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136764981
5-iodo-4-(3-methylsulfanylpropylamino)-1H-pyrimidin-6-one
CID 136975807
5-iodo-4-(3-methylsulfinylpropylamino)-1H-pyrimidin-6-one
CID 136957186
4-[2-(4-aminophenoxy)ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136977960
5-iodo-4-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrimidin-6-one
CID 136977489
5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730542
5-iodo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one
CID 136879289
5-iodo-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754599
4-[(2-chloro-2-cyclopropylethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136971924
N-cyclopropyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136956133
5-amino-4-(2-cyclopropylethylamino)-1H-pyrimidin-6-one
CID 136976144
4-(2,3-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956815

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylmethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(cyclopropylmethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one (CID 136689230) is 4-[3-(cyclopropylmethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(cyclopropylmethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(cyclopropylmethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCCOCC2CC2)c1I.
What is the InChIKey of 4-[3-(cyclopropylmethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is DOGYHDUWWQHCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c12-9-10(14-7-15-11(9)16)13-4-1-5-17-6-8-2-3-8/h7-8H,1-6H2,(H2,13,14,15,16).
What are the key properties of 4-[3-(cyclopropylmethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one?
4-[3-(cyclopropylmethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 349.17 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylmethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136689230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).