1-[(6-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol

C11H20N4O — CID 107159476

IUPAC1-[(6-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNc1cc(N)ncn1
InChIInChI=1S/C11H20N4O/c1-11(2,3)5-8(16)6-13-10-4-9(12)14-7-15-10/h4,7-8,16H,5-6H2,1-3H3,(H3,12,13,14,15)
InChIKeyIJHRNPVTDOHZTK-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.27
Rot. Bonds4

About 1-[(6-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol

1-[(6-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol (PubChem CID 107159476) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[(6-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(6-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
PubChem CID107159476
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[(6-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNc1cc(N)ncn1
InChIInChI=1S/C11H20N4O/c1-11(2,3)5-8(16)6-13-10-4-9(12)14-7-15-10/h4,7-8,16H,5-6H2,1-3H3,(H3,12,13,14,15)
InChIKeyIJHRNPVTDOHZTK-UHFFFAOYSA-N
XLogP1.27
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(6-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol (CID 107159476) is 1-[(6-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(6-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(6-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNc1cc(N)ncn1.
What is the InChIKey of 1-[(6-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
The InChIKey is IJHRNPVTDOHZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(2,3)5-8(16)6-13-10-4-9(12)14-7-15-10/h4,7-8,16H,5-6H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 1-[(6-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
1-[(6-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol has a molecular weight of 224.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107159476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).