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

C11H18FN3O — CID 104606217

IUPAC1-[(5-fluoropyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNc1ncc(F)cn1
InChIInChI=1S/C11H18FN3O/c1-8(2)4-11(3,16)7-15-10-13-5-9(12)6-14-10/h5-6,8,16H,4,7H2,1-3H3,(H,13,14,15)
InChIKeyNSRSACQQELMJFS-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.82
Rot. Bonds5

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

1-[(5-fluoropyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol (PubChem CID 104606217) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-[(5-fluoropyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(5-fluoropyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
PubChem CID104606217
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name1-[(5-fluoropyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNc1ncc(F)cn1
InChIInChI=1S/C11H18FN3O/c1-8(2)4-11(3,16)7-15-10-13-5-9(12)6-14-10/h5-6,8,16H,4,7H2,1-3H3,(H,13,14,15)
InChIKeyNSRSACQQELMJFS-UHFFFAOYSA-N
XLogP1.82
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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 1-[(5-fluoropyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(5-fluoropyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol (CID 104606217) is 1-[(5-fluoropyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(5-fluoropyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(5-fluoropyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNc1ncc(F)cn1.
What is the InChIKey of 1-[(5-fluoropyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol?
The InChIKey is NSRSACQQELMJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-8(2)4-11(3,16)7-15-10-13-5-9(12)6-14-10/h5-6,8,16H,4,7H2,1-3H3,(H,13,14,15).
What are the key properties of 1-[(5-fluoropyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol?
1-[(5-fluoropyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol has a molecular weight of 227.28 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoropyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 104606217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).