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

C11H20N4O — CID 80851643

IUPAC1-[(2-aminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNc1ccnc(N)n1
InChIInChI=1S/C11H20N4O/c1-8(2)6-11(3,16)7-14-9-4-5-13-10(12)15-9/h4-5,8,16H,6-7H2,1-3H3,(H3,12,13,14,15)
InChIKeyUXOMMFJNSWLWMK-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.27
Rot. Bonds5

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

1-[(2-aminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol (PubChem CID 80851643) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[(2-aminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(2-aminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
PubChem CID80851643
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[(2-aminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNc1ccnc(N)n1
InChIInChI=1S/C11H20N4O/c1-8(2)6-11(3,16)7-14-9-4-5-13-10(12)15-9/h4-5,8,16H,6-7H2,1-3H3,(H3,12,13,14,15)
InChIKeyUXOMMFJNSWLWMK-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(2-aminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol (CID 80851643) is 1-[(2-aminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(2-aminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(2-aminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNc1ccnc(N)n1.
What is the InChIKey of 1-[(2-aminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol?
The InChIKey is UXOMMFJNSWLWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)6-11(3,16)7-14-9-4-5-13-10(12)15-9/h4-5,8,16H,6-7H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 1-[(2-aminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol?
1-[(2-aminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol has a molecular weight of 224.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 80851643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).