1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylamino]propan-2-ol

C11H20N4O3 — CID 104594186

IUPAC1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylamino]propan-2-ol
SMILESCOc1cc(OC)nc(NCCNCC(C)O)n1
InChIInChI=1S/C11H20N4O3/c1-8(16)7-12-4-5-13-11-14-9(17-2)6-10(15-11)18-3/h6,8,12,16H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyHSFXAQITEALIHE-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.12
Rot. Bonds8

About 1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylamino]propan-2-ol

1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylamino]propan-2-ol (PubChem CID 104594186) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylamino]propan-2-ol
PubChem CID104594186
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylamino]propan-2-ol
SMILESCOc1cc(OC)nc(NCCNCC(C)O)n1
InChIInChI=1S/C11H20N4O3/c1-8(16)7-12-4-5-13-11-14-9(17-2)6-10(15-11)18-3/h6,8,12,16H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyHSFXAQITEALIHE-UHFFFAOYSA-N
XLogP-0.12
TPSA88.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylamino]propan-2-ol?
The IUPAC name of 1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylamino]propan-2-ol (CID 104594186) is 1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylamino]propan-2-ol is COc1cc(OC)nc(NCCNCC(C)O)n1.
What is the InChIKey of 1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylamino]propan-2-ol?
The InChIKey is HSFXAQITEALIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-8(16)7-12-4-5-13-11-14-9(17-2)6-10(15-11)18-3/h6,8,12,16H,4-5,7H2,1-3H3,(H,13,14,15).
What are the key properties of 1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylamino]propan-2-ol?
1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylamino]propan-2-ol has a molecular weight of 256.31 g/mol, XLogP of -0.12, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylamino]propan-2-ol is sourced from PubChem (CID 104594186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).