4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one

C11H19IN4O — CID 136704111

IUPAC4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCCCC(CCN)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C11H19IN4O/c1-2-3-8(4-5-13)6-14-10-9(12)11(17)16-7-15-10/h7-8H,2-6,13H2,1H3,(H2,14,15,16,17)
InChIKeyUURIIAVTUXCHPV-UHFFFAOYSA-N
MW350.20 g/mol
LogP1.55
Rot. Bonds7

About 4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one

4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136704111) has the molecular formula C11H19IN4O and a molecular weight of 350.20 g/mol. Its IUPAC name is 4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136704111
Molecular FormulaC11H19IN4O
Molecular Weight350.20 g/mol
Exact Mass350.06
IUPAC Name4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCCCC(CCN)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C11H19IN4O/c1-2-3-8(4-5-13)6-14-10-9(12)11(17)16-7-15-10/h7-8H,2-6,13H2,1H3,(H2,14,15,16,17)
InChIKeyUURIIAVTUXCHPV-UHFFFAOYSA-N
XLogP1.55
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261
4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136689853
5-iodo-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701815
4-(2-ethylhexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136701822
4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701823
5-bromo-4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701824
4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one
CID 136704106
4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704110
4-[2-(2-chloroethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
CID 136704115
4-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136716230
4-[(1-ethylcyclopentyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136723583
5-iodo-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 136731498

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one (CID 136704111) is 4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one is CCCC(CCN)CNc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is UURIIAVTUXCHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19IN4O/c1-2-3-8(4-5-13)6-14-10-9(12)11(17)16-7-15-10/h7-8H,2-6,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one?
4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 350.20 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136704111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).