1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane

C15H19F3N4 — CID 131660865

IUPAC1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane
SMILESFC(F)(F)c1ccnc(N2CCC3(CCN3CC3CC3)C2)n1
InChIInChI=1S/C15H19F3N4/c16-15(17,18)12-3-6-19-13(20-12)21-7-4-14(10-21)5-8-22(14)9-11-1-2-11/h3,6,11H,1-2,4-5,7-10H2
InChIKeyIAVZOCKTIHTILV-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.56
Rot. Bonds3

About 1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane

1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane (PubChem CID 131660865) has the molecular formula C15H19F3N4 and a molecular weight of 312.34 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane
PubChem CID131660865
Molecular FormulaC15H19F3N4
Molecular Weight312.34 g/mol
Exact Mass312.16
IUPAC Name1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane
SMILESFC(F)(F)c1ccnc(N2CCC3(CCN3CC3CC3)C2)n1
InChIInChI=1S/C15H19F3N4/c16-15(17,18)12-3-6-19-13(20-12)21-7-4-14(10-21)5-8-22(14)9-11-1-2-11/h3,6,11H,1-2,4-5,7-10H2
InChIKeyIAVZOCKTIHTILV-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane?
The IUPAC name of 1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane (CID 131660865) is 1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane?
The canonical SMILES for 1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane is FC(F)(F)c1ccnc(N2CCC3(CCN3CC3CC3)C2)n1.
What is the InChIKey of 1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane?
The InChIKey is IAVZOCKTIHTILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4/c16-15(17,18)12-3-6-19-13(20-12)21-7-4-14(10-21)5-8-22(14)9-11-1-2-11/h3,6,11H,1-2,4-5,7-10H2.
What are the key properties of 1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane?
1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane has a molecular weight of 312.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane is sourced from PubChem (CID 131660865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).