5-amino-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one

C10H16ClN3O2 — CID 107706074

IUPAC5-amino-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CCCCCCO)c1=O
InChIInChI=1S/C10H16ClN3O2/c11-9-8(12)10(16)14(7-13-9)5-3-1-2-4-6-15/h7,15H,1-6,12H2
InChIKeyIQMFYWBRWYBRDU-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.03
Rot. Bonds6

About 5-amino-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one

5-amino-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one (PubChem CID 107706074) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one
PubChem CID107706074
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name5-amino-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CCCCCCO)c1=O
InChIInChI=1S/C10H16ClN3O2/c11-9-8(12)10(16)14(7-13-9)5-3-1-2-4-6-15/h7,15H,1-6,12H2
InChIKeyIQMFYWBRWYBRDU-UHFFFAOYSA-N
XLogP1.03
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one (CID 107706074) is 5-amino-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one is Nc1c(Cl)ncn(CCCCCCO)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one?
The InChIKey is IQMFYWBRWYBRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c11-9-8(12)10(16)14(7-13-9)5-3-1-2-4-6-15/h7,15H,1-6,12H2.
What are the key properties of 5-amino-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one?
5-amino-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one has a molecular weight of 245.71 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one is sourced from PubChem (CID 107706074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).