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

C11H20N4O — CID 80852682

IUPAC4-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentan-1-ol
SMILESCc1nc(N)c(C)c(NC(C)CCCO)n1
InChIInChI=1S/C11H20N4O/c1-7(5-4-6-16)13-11-8(2)10(12)14-9(3)15-11/h7,16H,4-6H2,1-3H3,(H3,12,13,14,15)
InChIKeyKYUIRHUYPIHVHK-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.25
Rot. Bonds5

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

4-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 80852682) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentan-1-ol
PubChem CID80852682
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentan-1-ol
SMILESCc1nc(N)c(C)c(NC(C)CCCO)n1
InChIInChI=1S/C11H20N4O/c1-7(5-4-6-16)13-11-8(2)10(12)14-9(3)15-11/h7,16H,4-6H2,1-3H3,(H3,12,13,14,15)
InChIKeyKYUIRHUYPIHVHK-UHFFFAOYSA-N
XLogP1.25
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentan-1-ol?
The IUPAC name of 4-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentan-1-ol (CID 80852682) is 4-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 4-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for 4-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentan-1-ol is Cc1nc(N)c(C)c(NC(C)CCCO)n1.
What is the InChIKey of 4-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentan-1-ol?
The InChIKey is KYUIRHUYPIHVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7(5-4-6-16)13-11-8(2)10(12)14-9(3)15-11/h7,16H,4-6H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 4-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentan-1-ol?
4-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 80852682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).