4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C15H21F3N4O2 — CID 56863713

IUPAC4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESFC(F)(F)CCc1ccnc(N2CCOC3(CNCCOC3)C2)n1
InChIInChI=1S/C15H21F3N4O2/c16-15(17,18)3-1-12-2-4-20-13(21-12)22-6-8-24-14(10-22)9-19-5-7-23-11-14/h2,4,19H,1,3,5-11H2
InChIKeyZQCNWBVMNZBICX-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.17
Rot. Bonds3

About 4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 56863713) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID56863713
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESFC(F)(F)CCc1ccnc(N2CCOC3(CNCCOC3)C2)n1
InChIInChI=1S/C15H21F3N4O2/c16-15(17,18)3-1-12-2-4-20-13(21-12)22-6-8-24-14(10-22)9-19-5-7-23-11-14/h2,4,19H,1,3,5-11H2
InChIKeyZQCNWBVMNZBICX-UHFFFAOYSA-N
XLogP1.17
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[4-(3,3,3-Trifluoropropyl)pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 56870612
N-(tetrahydrofuran-3-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56878990
Ethyl 4-{[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]amino}piperidine-1-carboxylate
CID 56861108
1-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)piperidin-4-OL
CID 56861481
N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56862385
2-[4-(2-Ethoxyethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56863286
N-(tetrahydro-2H-pyran-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56863545
N-{[4-(methylsulfonyl)morpholin-2-yl]methyl}-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56865810
N-(1,4-dioxan-2-ylmethyl)-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56866479
(3S*,4R*)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine
CID 56869576
N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56873098
2-[4-(4-Isopropylpyrimidin-2-yl)morpholin-2-yl]ethanamine
CID 72839855

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of 4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 56863713) is 4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for 4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for 4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is FC(F)(F)CCc1ccnc(N2CCOC3(CNCCOC3)C2)n1.
What is the InChIKey of 4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is ZQCNWBVMNZBICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c16-15(17,18)3-1-12-2-4-20-13(21-12)22-6-8-24-14(10-22)9-19-5-7-23-11-14/h2,4,19H,1,3,5-11H2.
What are the key properties of 4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 346.35 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 56863713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).