3-[(2-aminopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol

C9H16N4O — CID 115366516

IUPAC3-[(2-aminopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1ccnc(N)n1
InChIInChI=1S/C9H16N4O/c1-9(2,6-14)5-12-7-3-4-11-8(10)13-7/h3-4,14H,5-6H2,1-2H3,(H3,10,11,12,13)
InChIKeyZZTHFOPETQWCOW-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.49
Rot. Bonds4

About 3-[(2-aminopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol

3-[(2-aminopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 115366516) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-[(2-aminopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(2-aminopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
PubChem CID115366516
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-[(2-aminopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1ccnc(N)n1
InChIInChI=1S/C9H16N4O/c1-9(2,6-14)5-12-7-3-4-11-8(10)13-7/h3-4,14H,5-6H2,1-2H3,(H3,10,11,12,13)
InChIKeyZZTHFOPETQWCOW-UHFFFAOYSA-N
XLogP0.49
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(2-aminopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol (CID 115366516) is 3-[(2-aminopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(2-aminopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(2-aminopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNc1ccnc(N)n1.
What is the InChIKey of 3-[(2-aminopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is ZZTHFOPETQWCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-9(2,6-14)5-12-7-3-4-11-8(10)13-7/h3-4,14H,5-6H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 3-[(2-aminopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
3-[(2-aminopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115366516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).