3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol

C9H16N4O2 — CID 64541292

IUPAC3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol
SMILESCOc1ccnc(NCC(N)C(C)O)n1
InChIInChI=1S/C9H16N4O2/c1-6(14)7(10)5-12-9-11-4-3-8(13-9)15-2/h3-4,6-7,14H,5,10H2,1-2H3,(H,11,12,13)
InChIKeyMUEKWLIKDATGGQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.39
Rot. Bonds5

About 3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol

3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol (PubChem CID 64541292) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Name3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol
PubChem CID64541292
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol
SMILESCOc1ccnc(NCC(N)C(C)O)n1
InChIInChI=1S/C9H16N4O2/c1-6(14)7(10)5-12-9-11-4-3-8(13-9)15-2/h3-4,6-7,14H,5,10H2,1-2H3,(H,11,12,13)
InChIKeyMUEKWLIKDATGGQ-UHFFFAOYSA-N
XLogP-0.39
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol?
The IUPAC name of 3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol (CID 64541292) is 3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol.
What is the SMILES notation for 3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol?
The canonical SMILES for 3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol is COc1ccnc(NCC(N)C(C)O)n1.
What is the InChIKey of 3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol?
The InChIKey is MUEKWLIKDATGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6(14)7(10)5-12-9-11-4-3-8(13-9)15-2/h3-4,6-7,14H,5,10H2,1-2H3,(H,11,12,13).
What are the key properties of 3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol?
3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol has a molecular weight of 212.25 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol is sourced from PubChem (CID 64541292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).