3-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol

C11H18FN3O — CID 106352610

IUPAC3-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)Nc1cc(F)ncn1
InChIInChI=1S/C11H18FN3O/c1-11(2,3)8(4-5-16)15-10-6-9(12)13-7-14-10/h6-8,16H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyLLYIPUDDWDFGIB-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.82
Rot. Bonds4

About 3-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol

3-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 106352610) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
PubChem CID106352610
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name3-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)Nc1cc(F)ncn1
InChIInChI=1S/C11H18FN3O/c1-11(2,3)8(4-5-16)15-10-6-9(12)13-7-14-10/h6-8,16H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyLLYIPUDDWDFGIB-UHFFFAOYSA-N
XLogP1.82
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol (CID 106352610) is 3-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol is CC(C)(C)C(CCO)Nc1cc(F)ncn1.
What is the InChIKey of 3-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is LLYIPUDDWDFGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-11(2,3)8(4-5-16)15-10-6-9(12)13-7-14-10/h6-8,16H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of 3-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
3-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 227.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106352610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).