5-iodo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one

C11H18IN3O2 — CID 136689231

IUPAC5-iodo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
SMILESCC(C)COCCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C11H18IN3O2/c1-8(2)6-17-5-3-4-13-10-9(12)11(16)15-7-14-10/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyDOIDMLAAANKIRH-UHFFFAOYSA-N
MW351.19 g/mol
LogP1.85
Rot. Bonds7

About 5-iodo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one

5-iodo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one (PubChem CID 136689231) has the molecular formula C11H18IN3O2 and a molecular weight of 351.19 g/mol. Its IUPAC name is 5-iodo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
PubChem CID136689231
Molecular FormulaC11H18IN3O2
Molecular Weight351.19 g/mol
Exact Mass351.04
IUPAC Name5-iodo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
SMILESCC(C)COCCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C11H18IN3O2/c1-8(2)6-17-5-3-4-13-10-9(12)11(16)15-7-14-10/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyDOIDMLAAANKIRH-UHFFFAOYSA-N
XLogP1.85
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 51.85
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-[(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
5-bromo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764962
5-amino-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764966
5-chloro-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764969
4-[2-(cyclopropylmethoxy)ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136764987
4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764989
4-[(1-ethoxy-3-methylbutan-2-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136824075

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one (CID 136689231) is 5-iodo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one is CC(C)COCCCNc1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one?
The InChIKey is DOIDMLAAANKIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN3O2/c1-8(2)6-17-5-3-4-13-10-9(12)11(16)15-7-14-10/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-iodo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one?
5-iodo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one has a molecular weight of 351.19 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136689231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).