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

C10H16FN3O — CID 106352549

IUPAC3-[(6-fluoropyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)Nc1cc(F)ncn1
InChIInChI=1S/C10H16FN3O/c1-7(2)8(3-4-15)14-10-5-9(11)12-6-13-10/h5-8,15H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyNCMMQPXLBQMUQE-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.43
Rot. Bonds5

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

3-[(6-fluoropyrimidin-4-yl)amino]-4-methylpentan-1-ol (PubChem CID 106352549) has the molecular formula C10H16FN3O and a molecular weight of 213.26 g/mol. Its IUPAC name is 3-[(6-fluoropyrimidin-4-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(6-fluoropyrimidin-4-yl)amino]-4-methylpentan-1-ol
PubChem CID106352549
Molecular FormulaC10H16FN3O
Molecular Weight213.26 g/mol
Exact Mass213.13
IUPAC Name3-[(6-fluoropyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)Nc1cc(F)ncn1
InChIInChI=1S/C10H16FN3O/c1-7(2)8(3-4-15)14-10-5-9(11)12-6-13-10/h5-8,15H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyNCMMQPXLBQMUQE-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 3-[(6-fluoropyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(6-fluoropyrimidin-4-yl)amino]-4-methylpentan-1-ol (CID 106352549) is 3-[(6-fluoropyrimidin-4-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(6-fluoropyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(6-fluoropyrimidin-4-yl)amino]-4-methylpentan-1-ol is CC(C)C(CCO)Nc1cc(F)ncn1.
What is the InChIKey of 3-[(6-fluoropyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The InChIKey is NCMMQPXLBQMUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O/c1-7(2)8(3-4-15)14-10-5-9(11)12-6-13-10/h5-8,15H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 3-[(6-fluoropyrimidin-4-yl)amino]-4-methylpentan-1-ol?
3-[(6-fluoropyrimidin-4-yl)amino]-4-methylpentan-1-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 3-[(6-fluoropyrimidin-4-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 106352549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).