4-(3-butoxypropylamino)-5-iodo-1H-pyrimidin-6-one

C11H18IN3O2 — CID 136957184

IUPAC4-(3-butoxypropylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCCCCOCCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C11H18IN3O2/c1-2-3-6-17-7-4-5-13-10-9(12)11(16)15-8-14-10/h8H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyPLRGPMVCDGEHMY-UHFFFAOYSA-N
MW351.19 g/mol
LogP1.99
Rot. Bonds8

About 4-(3-butoxypropylamino)-5-iodo-1H-pyrimidin-6-one

4-(3-butoxypropylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136957184) has the molecular formula C11H18IN3O2 and a molecular weight of 351.19 g/mol. Its IUPAC name is 4-(3-butoxypropylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-butoxypropylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136957184
Molecular FormulaC11H18IN3O2
Molecular Weight351.19 g/mol
Exact Mass351.04
IUPAC Name4-(3-butoxypropylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCCCCOCCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C11H18IN3O2/c1-2-3-6-17-7-4-5-13-10-9(12)11(16)15-8-14-10/h8H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyPLRGPMVCDGEHMY-UHFFFAOYSA-N
XLogP1.99
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 51.99
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

4-[3-(cyclopropylmethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136689230
5-iodo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136689231
4-[(3-ethoxycyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136696629
5-iodo-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696638
5-iodo-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723594
4-[3-(2-chloroethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136730521
4-[3-(2-hydroxyethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136730528
4-[3-(2-aminoethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136730540
4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764961
4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764971
5-iodo-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786672
5-iodo-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820293

Frequently Asked Questions

What is the IUPAC name of 4-(3-butoxypropylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-butoxypropylamino)-5-iodo-1H-pyrimidin-6-one (CID 136957184) is 4-(3-butoxypropylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-butoxypropylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-butoxypropylamino)-5-iodo-1H-pyrimidin-6-one is CCCCOCCCNc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-(3-butoxypropylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is PLRGPMVCDGEHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN3O2/c1-2-3-6-17-7-4-5-13-10-9(12)11(16)15-8-14-10/h8H,2-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-(3-butoxypropylamino)-5-iodo-1H-pyrimidin-6-one?
4-(3-butoxypropylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 351.19 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-butoxypropylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136957184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).