2-fluoro-4-propan-2-yloxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C10H14FN3O — CID 172576404

IUPAC2-fluoro-4-propan-2-yloxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC(C)Oc1nc(F)nc2c1CNCC2
InChIInChI=1S/C10H14FN3O/c1-6(2)15-9-7-5-12-4-3-8(7)13-10(11)14-9/h6,12H,3-5H2,1-2H3
InChIKeyBVGZNYWNBWLFPW-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.05
Rot. Bonds2

About 2-fluoro-4-propan-2-yloxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

2-fluoro-4-propan-2-yloxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 172576404) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-fluoro-4-propan-2-yloxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-fluoro-4-propan-2-yloxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID172576404
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name2-fluoro-4-propan-2-yloxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC(C)Oc1nc(F)nc2c1CNCC2
InChIInChI=1S/C10H14FN3O/c1-6(2)15-9-7-5-12-4-3-8(7)13-10(11)14-9/h6,12H,3-5H2,1-2H3
InChIKeyBVGZNYWNBWLFPW-UHFFFAOYSA-N
XLogP1.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-propan-2-yloxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-fluoro-4-propan-2-yloxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 172576404) is 2-fluoro-4-propan-2-yloxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-fluoro-4-propan-2-yloxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-fluoro-4-propan-2-yloxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CC(C)Oc1nc(F)nc2c1CNCC2.
What is the InChIKey of 2-fluoro-4-propan-2-yloxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is BVGZNYWNBWLFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-6(2)15-9-7-5-12-4-3-8(7)13-10(11)14-9/h6,12H,3-5H2,1-2H3.
What are the key properties of 2-fluoro-4-propan-2-yloxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-fluoro-4-propan-2-yloxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 211.24 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-propan-2-yloxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 172576404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).