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

C10H16FN3O — CID 103826085

IUPAC1-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1ncc(F)cn1
InChIInChI=1S/C10H16FN3O/c1-7(2)3-9(15)6-14-10-12-4-8(11)5-13-10/h4-5,7,9,15H,3,6H2,1-2H3,(H,12,13,14)
InChIKeyPLOZZHKRRCDYNY-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.43
Rot. Bonds5

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

1-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentan-2-ol (PubChem CID 103826085) has the molecular formula C10H16FN3O and a molecular weight of 213.26 g/mol. Its IUPAC name is 1-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentan-2-ol
PubChem CID103826085
Molecular FormulaC10H16FN3O
Molecular Weight213.26 g/mol
Exact Mass213.13
IUPAC Name1-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1ncc(F)cn1
InChIInChI=1S/C10H16FN3O/c1-7(2)3-9(15)6-14-10-12-4-8(11)5-13-10/h4-5,7,9,15H,3,6H2,1-2H3,(H,12,13,14)
InChIKeyPLOZZHKRRCDYNY-UHFFFAOYSA-N
XLogP1.43
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.43
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]-4-methylpentan-2-ol?
The IUPAC name of 1-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentan-2-ol (CID 103826085) is 1-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentan-2-ol is CC(C)CC(O)CNc1ncc(F)cn1.
What is the InChIKey of 1-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentan-2-ol?
The InChIKey is PLOZZHKRRCDYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O/c1-7(2)3-9(15)6-14-10-12-4-8(11)5-13-10/h4-5,7,9,15H,3,6H2,1-2H3,(H,12,13,14).
What are the key properties of 1-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentan-2-ol?
1-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentan-2-ol has a molecular weight of 213.26 g/mol, XLogP of 1.43, 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]-4-methylpentan-2-ol is sourced from PubChem (CID 103826085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).