2-[(6-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol

C9H14FN3O — CID 115417065

IUPAC2-[(6-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1cc(F)ncn1
InChIInChI=1S/C9H14FN3O/c1-3-9(2,5-14)13-8-4-7(10)11-6-12-8/h4,6,14H,3,5H2,1-2H3,(H,11,12,13)
InChIKeyFPYHQFQWIOIAGB-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.19
Rot. Bonds4

About 2-[(6-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol

2-[(6-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol (PubChem CID 115417065) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-[(6-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(6-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol
PubChem CID115417065
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name2-[(6-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1cc(F)ncn1
InChIInChI=1S/C9H14FN3O/c1-3-9(2,5-14)13-8-4-7(10)11-6-12-8/h4,6,14H,3,5H2,1-2H3,(H,11,12,13)
InChIKeyFPYHQFQWIOIAGB-UHFFFAOYSA-N
XLogP1.19
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The IUPAC name of 2-[(6-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol (CID 115417065) is 2-[(6-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(6-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(6-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol is CCC(C)(CO)Nc1cc(F)ncn1.
What is the InChIKey of 2-[(6-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The InChIKey is FPYHQFQWIOIAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-3-9(2,5-14)13-8-4-7(10)11-6-12-8/h4,6,14H,3,5H2,1-2H3,(H,11,12,13).
What are the key properties of 2-[(6-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol?
2-[(6-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol has a molecular weight of 199.23 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoropyrimidin-4-yl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 115417065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).