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

C15H19F3N4 — CID 97397566

IUPAC(4R)-1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane
SMILESFC(F)(F)c1ccnc(N2CC[C@]3(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/t14-/m0/s1
InChIKeyIAVZOCKTIHTILV-AWEZNQCLSA-N
MW312.34 g/mol
LogP2.56
Rot. Bonds3

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

(4R)-1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane (PubChem CID 97397566) has the molecular formula C15H19F3N4 and a molecular weight of 312.34 g/mol. Its IUPAC name is (4R)-1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name(4R)-1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane
PubChem CID97397566
Molecular FormulaC15H19F3N4
Molecular Weight312.34 g/mol
Exact Mass312.16
IUPAC Name(4R)-1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane
SMILESFC(F)(F)c1ccnc(N2CC[C@]3(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/t14-/m0/s1
InChIKeyIAVZOCKTIHTILV-AWEZNQCLSA-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 (4R)-1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane?
The IUPAC name of (4R)-1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane (CID 97397566) is (4R)-1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane.
What is the SMILES notation for (4R)-1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane?
The canonical SMILES for (4R)-1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane is FC(F)(F)c1ccnc(N2CC[C@]3(CCN3CC3CC3)C2)n1.
What is the InChIKey of (4R)-1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane?
The InChIKey is IAVZOCKTIHTILV-AWEZNQCLSA-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/t14-/m0/s1.
What are the key properties of (4R)-1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane?
(4R)-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 (4R)-1-(cyclopropylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97397566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).