2-[(5,6-dimethylpyrimidin-4-yl)amino]-1-(methylamino)propan-1-ol

C10H18N4O — CID 90453145

IUPAC2-[(5,6-dimethylpyrimidin-4-yl)amino]-1-(methylamino)propan-1-ol
SMILESCNC(O)C(C)Nc1ncnc(C)c1C
InChIInChI=1S/C10H18N4O/c1-6-7(2)12-5-13-9(6)14-8(3)10(15)11-4/h5,8,10-11,15H,1-4H3,(H,12,13,14)
InChIKeyUUHQVBYBJOZWMY-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.43
Rot. Bonds4

About 2-[(5,6-dimethylpyrimidin-4-yl)amino]-1-(methylamino)propan-1-ol

2-[(5,6-dimethylpyrimidin-4-yl)amino]-1-(methylamino)propan-1-ol (PubChem CID 90453145) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[(5,6-dimethylpyrimidin-4-yl)amino]-1-(methylamino)propan-1-ol.

Molecular Properties

Compound Name2-[(5,6-dimethylpyrimidin-4-yl)amino]-1-(methylamino)propan-1-ol
PubChem CID90453145
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-[(5,6-dimethylpyrimidin-4-yl)amino]-1-(methylamino)propan-1-ol
SMILESCNC(O)C(C)Nc1ncnc(C)c1C
InChIInChI=1S/C10H18N4O/c1-6-7(2)12-5-13-9(6)14-8(3)10(15)11-4/h5,8,10-11,15H,1-4H3,(H,12,13,14)
InChIKeyUUHQVBYBJOZWMY-UHFFFAOYSA-N
XLogP0.43
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethylpyrimidin-4-yl)amino]-1-(methylamino)propan-1-ol?
The IUPAC name of 2-[(5,6-dimethylpyrimidin-4-yl)amino]-1-(methylamino)propan-1-ol (CID 90453145) is 2-[(5,6-dimethylpyrimidin-4-yl)amino]-1-(methylamino)propan-1-ol.
What is the SMILES notation for 2-[(5,6-dimethylpyrimidin-4-yl)amino]-1-(methylamino)propan-1-ol?
The canonical SMILES for 2-[(5,6-dimethylpyrimidin-4-yl)amino]-1-(methylamino)propan-1-ol is CNC(O)C(C)Nc1ncnc(C)c1C.
What is the InChIKey of 2-[(5,6-dimethylpyrimidin-4-yl)amino]-1-(methylamino)propan-1-ol?
The InChIKey is UUHQVBYBJOZWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-6-7(2)12-5-13-9(6)14-8(3)10(15)11-4/h5,8,10-11,15H,1-4H3,(H,12,13,14).
What are the key properties of 2-[(5,6-dimethylpyrimidin-4-yl)amino]-1-(methylamino)propan-1-ol?
2-[(5,6-dimethylpyrimidin-4-yl)amino]-1-(methylamino)propan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethylpyrimidin-4-yl)amino]-1-(methylamino)propan-1-ol is sourced from PubChem (CID 90453145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).