4-[(1-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one

C11H16IN3O2 — CID 136956784

IUPAC4-[(1-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC2(O)CCCCC2)c1I
InChIInChI=1S/C11H16IN3O2/c12-8-9(14-7-15-10(8)16)13-6-11(17)4-2-1-3-5-11/h7,17H,1-6H2,(H2,13,14,15,16)
InChIKeySVRSBFTXQUIVFS-UHFFFAOYSA-N
MW349.17 g/mol
LogP1.48
Rot. Bonds3

About 4-[(1-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one

4-[(1-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136956784) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is 4-[(1-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136956784
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC Name4-[(1-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC2(O)CCCCC2)c1I
InChIInChI=1S/C11H16IN3O2/c12-8-9(14-7-15-10(8)16)13-6-11(17)4-2-1-3-5-11/h7,17H,1-6H2,(H2,13,14,15,16)
InChIKeySVRSBFTXQUIVFS-UHFFFAOYSA-N
XLogP1.48
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 51.48
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-[(2-hydroxy-2-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136819392
4-[(3-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136823133
4-[[1-(hydroxymethyl)cyclohexyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136956558
4-[(2-ethyl-2-hydroxybutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136956751
5-bromo-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136956756
4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136956757
4-[(1-hydroxycycloheptyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136956758
4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136956773
4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136956785
4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136956786
4-[(1-hydroxycyclopentyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136956795
4-[(2-hydroxy-2,4-dimethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136956904

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one (CID 136956784) is 4-[(1-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(NCC2(O)CCCCC2)c1I.
What is the InChIKey of 4-[(1-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is SVRSBFTXQUIVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c12-8-9(14-7-15-10(8)16)13-6-11(17)4-2-1-3-5-11/h7,17H,1-6H2,(H2,13,14,15,16).
What are the key properties of 4-[(1-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one?
4-[(1-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 349.17 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136956784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).