4-[(3-hydroxycyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one

C10H14IN3O2 — CID 136957966

IUPAC4-[(3-hydroxycyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCN(CC1CC(O)C1)c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H14IN3O2/c1-14(4-6-2-7(15)3-6)9-8(11)10(16)13-5-12-9/h5-7,15H,2-4H2,1H3,(H,12,13,16)
InChIKeyTZLJJVQFBPKAHI-UHFFFAOYSA-N
MW335.15 g/mol
LogP0.58
Rot. Bonds3

About 4-[(3-hydroxycyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one

4-[(3-hydroxycyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136957966) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 4-[(3-hydroxycyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-hydroxycyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136957966
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name4-[(3-hydroxycyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCN(CC1CC(O)C1)c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H14IN3O2/c1-14(4-6-2-7(15)3-6)9-8(11)10(16)13-5-12-9/h5-7,15H,2-4H2,1H3,(H,12,13,16)
InChIKeyTZLJJVQFBPKAHI-UHFFFAOYSA-N
XLogP0.58
TPSA69.22 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 ≤ 50.58
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-[(2-hydroxy-4-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136703835
4-(3-hydroxy-4-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136749167
4-[4-(1-hydroxyethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136772452
4-[(3-ethyl-2-hydroxypentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136817761
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136857356
4-(4-hydroxypentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136902425
4-[(2-cyclopropyl-2-hydroxyethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136956669
4-[(3-hydroxycyclobutyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136956892
5-bromo-4-[(3-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136956894
4-[(3-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136956895
4-[(4-hydroxy-2-methylbutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136956908
4-[(2-ethyl-4-hydroxybutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136956969

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxycyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-hydroxycyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one (CID 136957966) is 4-[(3-hydroxycyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-hydroxycyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-hydroxycyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one is CN(CC1CC(O)C1)c1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[(3-hydroxycyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is TZLJJVQFBPKAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-14(4-6-2-7(15)3-6)9-8(11)10(16)13-5-12-9/h5-7,15H,2-4H2,1H3,(H,12,13,16).
What are the key properties of 4-[(3-hydroxycyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one?
4-[(3-hydroxycyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 335.15 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxycyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136957966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).