[5-chloro-6-[3-(dimethylamino)propoxy]pyrimidin-4-yl]methanediol

C10H16ClN3O3 — CID 129211807

IUPAC[5-chloro-6-[3-(dimethylamino)propoxy]pyrimidin-4-yl]methanediol
SMILESCN(C)CCCOc1ncnc(C(O)O)c1Cl
InChIInChI=1S/C10H16ClN3O3/c1-14(2)4-3-5-17-9-7(11)8(10(15)16)12-6-13-9/h6,10,15-16H,3-5H2,1-2H3
InChIKeyOLPBSCIJJOLUNZ-UHFFFAOYSA-N
MW261.71 g/mol
LogP0.44
Rot. Bonds6

About [5-chloro-6-[3-(dimethylamino)propoxy]pyrimidin-4-yl]methanediol

[5-chloro-6-[3-(dimethylamino)propoxy]pyrimidin-4-yl]methanediol (PubChem CID 129211807) has the molecular formula C10H16ClN3O3 and a molecular weight of 261.71 g/mol. Its IUPAC name is [5-chloro-6-[3-(dimethylamino)propoxy]pyrimidin-4-yl]methanediol.

Molecular Properties

Compound Name[5-chloro-6-[3-(dimethylamino)propoxy]pyrimidin-4-yl]methanediol
PubChem CID129211807
Molecular FormulaC10H16ClN3O3
Molecular Weight261.71 g/mol
Exact Mass261.09
IUPAC Name[5-chloro-6-[3-(dimethylamino)propoxy]pyrimidin-4-yl]methanediol
SMILESCN(C)CCCOc1ncnc(C(O)O)c1Cl
InChIInChI=1S/C10H16ClN3O3/c1-14(2)4-3-5-17-9-7(11)8(10(15)16)12-6-13-9/h6,10,15-16H,3-5H2,1-2H3
InChIKeyOLPBSCIJJOLUNZ-UHFFFAOYSA-N
XLogP0.44
TPSA78.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[3-(dimethylamino)propoxy]pyrimidin-4-yl]methanediol?
The IUPAC name of [5-chloro-6-[3-(dimethylamino)propoxy]pyrimidin-4-yl]methanediol (CID 129211807) is [5-chloro-6-[3-(dimethylamino)propoxy]pyrimidin-4-yl]methanediol.
What is the SMILES notation for [5-chloro-6-[3-(dimethylamino)propoxy]pyrimidin-4-yl]methanediol?
The canonical SMILES for [5-chloro-6-[3-(dimethylamino)propoxy]pyrimidin-4-yl]methanediol is CN(C)CCCOc1ncnc(C(O)O)c1Cl.
What is the InChIKey of [5-chloro-6-[3-(dimethylamino)propoxy]pyrimidin-4-yl]methanediol?
The InChIKey is OLPBSCIJJOLUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3/c1-14(2)4-3-5-17-9-7(11)8(10(15)16)12-6-13-9/h6,10,15-16H,3-5H2,1-2H3.
What are the key properties of [5-chloro-6-[3-(dimethylamino)propoxy]pyrimidin-4-yl]methanediol?
[5-chloro-6-[3-(dimethylamino)propoxy]pyrimidin-4-yl]methanediol has a molecular weight of 261.71 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[3-(dimethylamino)propoxy]pyrimidin-4-yl]methanediol is sourced from PubChem (CID 129211807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).