2-[(6-amino-5-methylpyrimidin-4-yl)amino]propan-1-ol

C8H14N4O — CID 80779997

IUPAC2-[(6-amino-5-methylpyrimidin-4-yl)amino]propan-1-ol
SMILESCc1c(N)ncnc1NC(C)CO
InChIInChI=1S/C8H14N4O/c1-5(3-13)12-8-6(2)7(9)10-4-11-8/h4-5,13H,3H2,1-2H3,(H3,9,10,11,12)
InChIKeySXBYPAVBFOKGND-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.16
Rot. Bonds3

About 2-[(6-amino-5-methylpyrimidin-4-yl)amino]propan-1-ol

2-[(6-amino-5-methylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 80779997) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-[(6-amino-5-methylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(6-amino-5-methylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID80779997
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-[(6-amino-5-methylpyrimidin-4-yl)amino]propan-1-ol
SMILESCc1c(N)ncnc1NC(C)CO
InChIInChI=1S/C8H14N4O/c1-5(3-13)12-8-6(2)7(9)10-4-11-8/h4-5,13H,3H2,1-2H3,(H3,9,10,11,12)
InChIKeySXBYPAVBFOKGND-UHFFFAOYSA-N
XLogP0.16
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-methylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 2-[(6-amino-5-methylpyrimidin-4-yl)amino]propan-1-ol (CID 80779997) is 2-[(6-amino-5-methylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(6-amino-5-methylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(6-amino-5-methylpyrimidin-4-yl)amino]propan-1-ol is Cc1c(N)ncnc1NC(C)CO.
What is the InChIKey of 2-[(6-amino-5-methylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is SXBYPAVBFOKGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-5(3-13)12-8-6(2)7(9)10-4-11-8/h4-5,13H,3H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 2-[(6-amino-5-methylpyrimidin-4-yl)amino]propan-1-ol?
2-[(6-amino-5-methylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 182.23 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-methylpyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 80779997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).