5-iodo-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one

C10H14IN3O2 — CID 136905788

IUPAC5-iodo-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1OCCC1CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H14IN3O2/c1-6-7(2-3-16-6)4-12-9-8(11)10(15)14-5-13-9/h5-7H,2-4H2,1H3,(H2,12,13,14,15)
InChIKeyBXJIHQHQDDQMBC-UHFFFAOYSA-N
MW335.15 g/mol
LogP1.21
Rot. Bonds3

About 5-iodo-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one

5-iodo-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136905788) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 5-iodo-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136905788
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name5-iodo-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1OCCC1CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H14IN3O2/c1-6-7(2-3-16-6)4-12-9-8(11)10(15)14-5-13-9/h5-7H,2-4H2,1H3,(H2,12,13,14,15)
InChIKeyBXJIHQHQDDQMBC-UHFFFAOYSA-N
XLogP1.21
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136675579
5-iodo-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136785543
5-iodo-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786681
4-[(2,3-dimethyloxolan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136870656
5-iodo-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
CID 136883381
5-amino-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905785
5-chloro-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905791
4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905792
5-bromo-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905793
4-[(2-ethyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136905798
4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905802
5-iodo-4-[2-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136956262

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one (CID 136905788) is 5-iodo-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one is CC1OCCC1CNc1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is BXJIHQHQDDQMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-6-7(2-3-16-6)4-12-9-8(11)10(15)14-5-13-9/h5-7H,2-4H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-iodo-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
5-iodo-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 335.15 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136905788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).