3-[(5-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol

C11H20N4O — CID 106348369

IUPAC3-[(5-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)Nc1ncncc1N
InChIInChI=1S/C11H20N4O/c1-11(2,3)9(4-5-16)15-10-8(12)6-13-7-14-10/h6-7,9,16H,4-5,12H2,1-3H3,(H,13,14,15)
InChIKeyZWHMVWLQNGLJAT-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.27
Rot. Bonds4

About 3-[(5-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol

3-[(5-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 106348369) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[(5-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[(5-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
PubChem CID106348369
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[(5-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)Nc1ncncc1N
InChIInChI=1S/C11H20N4O/c1-11(2,3)9(4-5-16)15-10-8(12)6-13-7-14-10/h6-7,9,16H,4-5,12H2,1-3H3,(H,13,14,15)
InChIKeyZWHMVWLQNGLJAT-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 3-[(5-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[(5-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol (CID 106348369) is 3-[(5-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[(5-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[(5-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol is CC(C)(C)C(CCO)Nc1ncncc1N.
What is the InChIKey of 3-[(5-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is ZWHMVWLQNGLJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(2,3)9(4-5-16)15-10-8(12)6-13-7-14-10/h6-7,9,16H,4-5,12H2,1-3H3,(H,13,14,15).
What are the key properties of 3-[(5-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
3-[(5-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-1-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 3-[(5-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106348369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).