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

C11H19FN4O — CID 80850592

IUPAC1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNc1nc(N)ncc1F
InChIInChI=1S/C11H19FN4O/c1-7(2)4-11(3,17)6-15-9-8(12)5-14-10(13)16-9/h5,7,17H,4,6H2,1-3H3,(H3,13,14,15,16)
InChIKeyINFQJWLOCAAKDJ-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.41
Rot. Bonds5

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

1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol (PubChem CID 80850592) has the molecular formula C11H19FN4O and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
PubChem CID80850592
Molecular FormulaC11H19FN4O
Molecular Weight242.30 g/mol
Exact Mass242.15
IUPAC Name1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNc1nc(N)ncc1F
InChIInChI=1S/C11H19FN4O/c1-7(2)4-11(3,17)6-15-9-8(12)5-14-10(13)16-9/h5,7,17H,4,6H2,1-3H3,(H3,13,14,15,16)
InChIKeyINFQJWLOCAAKDJ-UHFFFAOYSA-N
XLogP1.41
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.41
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]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol (CID 80850592) is 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNc1nc(N)ncc1F.
What is the InChIKey of 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol?
The InChIKey is INFQJWLOCAAKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4O/c1-7(2)4-11(3,17)6-15-9-8(12)5-14-10(13)16-9/h5,7,17H,4,6H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol?
1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol has a molecular weight of 242.30 g/mol, XLogP of 1.41, 5 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]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 80850592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).