4-[butan-2-yl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one

C10H16IN3O — CID 136970740

IUPAC4-[butan-2-yl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCC(C)N(CC)c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O/c1-4-7(3)14(5-2)9-8(11)10(15)13-6-12-9/h6-7H,4-5H2,1-3H3,(H,12,13,15)
InChIKeyUGWUZZFWVQHCSC-UHFFFAOYSA-N
MW321.16 g/mol
LogP2.00
Rot. Bonds4

About 4-[butan-2-yl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one

4-[butan-2-yl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136970740) has the molecular formula C10H16IN3O and a molecular weight of 321.16 g/mol. Its IUPAC name is 4-[butan-2-yl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[butan-2-yl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136970740
Molecular FormulaC10H16IN3O
Molecular Weight321.16 g/mol
Exact Mass321.03
IUPAC Name4-[butan-2-yl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCC(C)N(CC)c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O/c1-4-7(3)14(5-2)9-8(11)10(15)13-6-12-9/h6-7H,4-5H2,1-3H3,(H,12,13,15)
InChIKeyUGWUZZFWVQHCSC-UHFFFAOYSA-N
XLogP2.00
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[butan-2-yl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[butan-2-yl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136970740) is 4-[butan-2-yl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[butan-2-yl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[butan-2-yl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one is CCC(C)N(CC)c1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[butan-2-yl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is UGWUZZFWVQHCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O/c1-4-7(3)14(5-2)9-8(11)10(15)13-6-12-9/h6-7H,4-5H2,1-3H3,(H,12,13,15).
What are the key properties of 4-[butan-2-yl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[butan-2-yl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 321.16 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butan-2-yl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136970740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).