5-chloro-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one

C10H16ClN3O2 — CID 136866833

IUPAC5-chloro-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCCCCO)c1Cl
InChIInChI=1S/C10H16ClN3O2/c11-8-9(13-7-14-10(8)16)12-5-3-1-2-4-6-15/h7,15H,1-6H2,(H2,12,13,14,16)
InChIKeyPDOBTODNLOQRPS-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.39
Rot. Bonds7

About 5-chloro-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one

5-chloro-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one (PubChem CID 136866833) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 5-chloro-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
PubChem CID136866833
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name5-chloro-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCCCCO)c1Cl
InChIInChI=1S/C10H16ClN3O2/c11-8-9(13-7-14-10(8)16)12-5-3-1-2-4-6-15/h7,15H,1-6H2,(H2,12,13,14,16)
InChIKeyPDOBTODNLOQRPS-UHFFFAOYSA-N
XLogP1.39
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-[(4-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one
CID 136695133
5-chloro-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759216
5-chloro-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766325
5-chloro-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772470
5-chloro-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786668
5-chloro-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136857365
5-amino-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
CID 136866826
5-bromo-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
CID 136866827
4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
CID 136866831
4-(6-hydroxyhexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136866832
5-chloro-4-[(5-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136901130
5-chloro-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136902428

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one (CID 136866833) is 5-chloro-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCCCCCO)c1Cl.
What is the InChIKey of 5-chloro-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one?
The InChIKey is PDOBTODNLOQRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c11-8-9(13-7-14-10(8)16)12-5-3-1-2-4-6-15/h7,15H,1-6H2,(H2,12,13,14,16).
What are the key properties of 5-chloro-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one?
5-chloro-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one has a molecular weight of 245.71 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136866833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).