N,N-dimethyl-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine

C22H29F3N6 — CID 74767557

IUPACN,N-dimethyl-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCN(C)CC(c1ccc(C(F)(F)F)cc1)N1CCN(c2ncnc3c2CCCN3)CC1
InChIInChI=1S/C22H29F3N6/c1-29(2)14-19(16-5-7-17(8-6-16)22(23,24)25)30-10-12-31(13-11-30)21-18-4-3-9-26-20(18)27-15-28-21/h5-8,15,19H,3-4,9-14H2,1-2H3,(H,26,27,28)
InChIKeyDXIDCSBKUQPZSC-UHFFFAOYSA-N
MW434.51 g/mol
LogP3.28
Rot. Bonds5

About N,N-dimethyl-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine

N,N-dimethyl-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 74767557) has the molecular formula C22H29F3N6 and a molecular weight of 434.51 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID74767557
Molecular FormulaC22H29F3N6
Molecular Weight434.51 g/mol
Exact Mass434.24
IUPAC NameN,N-dimethyl-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCN(C)CC(c1ccc(C(F)(F)F)cc1)N1CCN(c2ncnc3c2CCCN3)CC1
InChIInChI=1S/C22H29F3N6/c1-29(2)14-19(16-5-7-17(8-6-16)22(23,24)25)30-10-12-31(13-11-30)21-18-4-3-9-26-20(18)27-15-28-21/h5-8,15,19H,3-4,9-14H2,1-2H3,(H,26,27,28)
InChIKeyDXIDCSBKUQPZSC-UHFFFAOYSA-N
XLogP3.28
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 74767557) is N,N-dimethyl-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine is CN(C)CC(c1ccc(C(F)(F)F)cc1)N1CCN(c2ncnc3c2CCCN3)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is DXIDCSBKUQPZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N6/c1-29(2)14-19(16-5-7-17(8-6-16)22(23,24)25)30-10-12-31(13-11-30)21-18-4-3-9-26-20(18)27-15-28-21/h5-8,15,19H,3-4,9-14H2,1-2H3,(H,26,27,28).
What are the key properties of N,N-dimethyl-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine?
N,N-dimethyl-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 434.51 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 74767557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).