7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane

C14H19FN4 — CID 97392896

IUPAC7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane
SMILESFc1cnc(N2CC3(CCN(CC4CC4)C3)C2)nc1
InChIInChI=1S/C14H19FN4/c15-12-5-16-13(17-6-12)19-9-14(10-19)3-4-18(8-14)7-11-1-2-11/h5-6,11H,1-4,7-10H2
InChIKeyHUCJIGDKYWXBOM-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.54
Rot. Bonds3

About 7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane

7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane (PubChem CID 97392896) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane
PubChem CID97392896
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane
SMILESFc1cnc(N2CC3(CCN(CC4CC4)C3)C2)nc1
InChIInChI=1S/C14H19FN4/c15-12-5-16-13(17-6-12)19-9-14(10-19)3-4-18(8-14)7-11-1-2-11/h5-6,11H,1-4,7-10H2
InChIKeyHUCJIGDKYWXBOM-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane?
The IUPAC name of 7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane (CID 97392896) is 7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane is Fc1cnc(N2CC3(CCN(CC4CC4)C3)C2)nc1.
What is the InChIKey of 7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane?
The InChIKey is HUCJIGDKYWXBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c15-12-5-16-13(17-6-12)19-9-14(10-19)3-4-18(8-14)7-11-1-2-11/h5-6,11H,1-4,7-10H2.
What are the key properties of 7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane?
7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane has a molecular weight of 262.33 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97392896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).