3-[(5-aminopyrimidin-2-yl)amino]-2-methylbutan-2-ol

C9H16N4O — CID 130865428

IUPAC3-[(5-aminopyrimidin-2-yl)amino]-2-methylbutan-2-ol
SMILESCC(Nc1ncc(N)cn1)C(C)(C)O
InChIInChI=1S/C9H16N4O/c1-6(9(2,3)14)13-8-11-4-7(10)5-12-8/h4-6,14H,10H2,1-3H3,(H,11,12,13)
InChIKeyMZNYFMZROISVHW-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.63
Rot. Bonds3

About 3-[(5-aminopyrimidin-2-yl)amino]-2-methylbutan-2-ol

3-[(5-aminopyrimidin-2-yl)amino]-2-methylbutan-2-ol (PubChem CID 130865428) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-[(5-aminopyrimidin-2-yl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[(5-aminopyrimidin-2-yl)amino]-2-methylbutan-2-ol
PubChem CID130865428
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-[(5-aminopyrimidin-2-yl)amino]-2-methylbutan-2-ol
SMILESCC(Nc1ncc(N)cn1)C(C)(C)O
InChIInChI=1S/C9H16N4O/c1-6(9(2,3)14)13-8-11-4-7(10)5-12-8/h4-6,14H,10H2,1-3H3,(H,11,12,13)
InChIKeyMZNYFMZROISVHW-UHFFFAOYSA-N
XLogP0.63
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-aminopyrimidin-2-yl)amino]-2-methylbutan-2-ol?
The IUPAC name of 3-[(5-aminopyrimidin-2-yl)amino]-2-methylbutan-2-ol (CID 130865428) is 3-[(5-aminopyrimidin-2-yl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[(5-aminopyrimidin-2-yl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[(5-aminopyrimidin-2-yl)amino]-2-methylbutan-2-ol is CC(Nc1ncc(N)cn1)C(C)(C)O.
What is the InChIKey of 3-[(5-aminopyrimidin-2-yl)amino]-2-methylbutan-2-ol?
The InChIKey is MZNYFMZROISVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(9(2,3)14)13-8-11-4-7(10)5-12-8/h4-6,14H,10H2,1-3H3,(H,11,12,13).
What are the key properties of 3-[(5-aminopyrimidin-2-yl)amino]-2-methylbutan-2-ol?
3-[(5-aminopyrimidin-2-yl)amino]-2-methylbutan-2-ol has a molecular weight of 196.25 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-aminopyrimidin-2-yl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 130865428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).