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

C10H14IN3O2 — CID 136971519

IUPAC5-iodo-4-[methyl-(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC1OCCC1N(C)c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H14IN3O2/c1-6-7(3-4-16-6)14(2)9-8(11)10(15)13-5-12-9/h5-7H,3-4H2,1-2H3,(H,12,13,15)
InChIKeyLCSIPKZTAYBTDN-UHFFFAOYSA-N
MW335.15 g/mol
LogP0.99
Rot. Bonds2

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

5-iodo-4-[methyl-(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136971519) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 5-iodo-4-[methyl-(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[methyl-(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136971519
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name5-iodo-4-[methyl-(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC1OCCC1N(C)c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H14IN3O2/c1-6-7(3-4-16-6)14(2)9-8(11)10(15)13-5-12-9/h5-7H,3-4H2,1-2H3,(H,12,13,15)
InChIKeyLCSIPKZTAYBTDN-UHFFFAOYSA-N
XLogP0.99
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136868273
4-(3,4-dimethoxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136868275
4-[(2,3-dimethyloxolan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136870656
5-iodo-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136956097
5-iodo-4-[(2-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136956533
4-(2-cyclopentyloxyethylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956667
5-iodo-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one
CID 136956767
5-iodo-4-(1-methoxybutan-2-ylamino)-1H-pyrimidin-6-one
CID 136956776
5-iodo-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one
CID 136956961
5-iodo-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136957044
5-bromo-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136957046
4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136957047

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[methyl-(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[methyl-(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one (CID 136971519) is 5-iodo-4-[methyl-(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[methyl-(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[methyl-(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one is CC1OCCC1N(C)c1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-[methyl-(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is LCSIPKZTAYBTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-6-7(3-4-16-6)14(2)9-8(11)10(15)13-5-12-9/h5-7H,3-4H2,1-2H3,(H,12,13,15).
What are the key properties of 5-iodo-4-[methyl-(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
5-iodo-4-[methyl-(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 335.15 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[methyl-(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136971519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).