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

C9H15FN4O — CID 80844260

IUPAC2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1nc(N)ncc1F
InChIInChI=1S/C9H15FN4O/c1-3-9(2,5-15)14-7-6(10)4-12-8(11)13-7/h4,15H,3,5H2,1-2H3,(H3,11,12,13,14)
InChIKeyDSKRBSVVBHUNEQ-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.77
Rot. Bonds4

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

2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol (PubChem CID 80844260) has the molecular formula C9H15FN4O and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol
PubChem CID80844260
Molecular FormulaC9H15FN4O
Molecular Weight214.24 g/mol
Exact Mass214.12
IUPAC Name2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1nc(N)ncc1F
InChIInChI=1S/C9H15FN4O/c1-3-9(2,5-15)14-7-6(10)4-12-8(11)13-7/h4,15H,3,5H2,1-2H3,(H3,11,12,13,14)
InChIKeyDSKRBSVVBHUNEQ-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The IUPAC name of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol (CID 80844260) is 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol is CCC(C)(CO)Nc1nc(N)ncc1F.
What is the InChIKey of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The InChIKey is DSKRBSVVBHUNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4O/c1-3-9(2,5-15)14-7-6(10)4-12-8(11)13-7/h4,15H,3,5H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol?
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-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 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 80844260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).