1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol

C9H15FN4O — CID 80840466

IUPAC1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1nc(N)ncc1F
InChIInChI=1S/C9H15FN4O/c1-3-9(2,15)5-13-7-6(10)4-12-8(11)14-7/h4,15H,3,5H2,1-2H3,(H3,11,12,13,14)
InChIKeyFHBAQBCJNASREY-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.77
Rot. Bonds4

About 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol

1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol (PubChem CID 80840466) has the molecular formula C9H15FN4O and a molecular weight of 214.24 g/mol. Its IUPAC name is 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol
PubChem CID80840466
Molecular FormulaC9H15FN4O
Molecular Weight214.24 g/mol
Exact Mass214.12
IUPAC Name1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1nc(N)ncc1F
InChIInChI=1S/C9H15FN4O/c1-3-9(2,15)5-13-7-6(10)4-12-8(11)14-7/h4,15H,3,5H2,1-2H3,(H3,11,12,13,14)
InChIKeyFHBAQBCJNASREY-UHFFFAOYSA-N
XLogP0.77
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol (CID 80840466) is 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol is CCC(C)(O)CNc1nc(N)ncc1F.
What is the InChIKey of 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol?
The InChIKey is FHBAQBCJNASREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4O/c1-3-9(2,15)5-13-7-6(10)4-12-8(11)14-7/h4,15H,3,5H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol?
1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol has a molecular weight of 214.24 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 80840466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).