6-fluoro-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine

C10H14FN3O — CID 115417191

IUPAC6-fluoro-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine
SMILESCC1(CNc2cc(F)ncn2)CCCO1
InChIInChI=1S/C10H14FN3O/c1-10(3-2-4-15-10)6-12-9-5-8(11)13-7-14-9/h5,7H,2-4,6H2,1H3,(H,12,13,14)
InChIKeyMYGRIAWYIFYXGA-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.60
Rot. Bonds3

About 6-fluoro-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine

6-fluoro-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine (PubChem CID 115417191) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 6-fluoro-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine
PubChem CID115417191
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name6-fluoro-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine
SMILESCC1(CNc2cc(F)ncn2)CCCO1
InChIInChI=1S/C10H14FN3O/c1-10(3-2-4-15-10)6-12-9-5-8(11)13-7-14-9/h5,7H,2-4,6H2,1H3,(H,12,13,14)
InChIKeyMYGRIAWYIFYXGA-UHFFFAOYSA-N
XLogP1.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine (CID 115417191) is 6-fluoro-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine is CC1(CNc2cc(F)ncn2)CCCO1.
What is the InChIKey of 6-fluoro-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is MYGRIAWYIFYXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-10(3-2-4-15-10)6-12-9-5-8(11)13-7-14-9/h5,7H,2-4,6H2,1H3,(H,12,13,14).
What are the key properties of 6-fluoro-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine?
6-fluoro-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 211.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 115417191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).