N,N-dimethyl-2-[4-[2-pyridin-2-yl-6-(thiophen-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine

C25H33N7S — CID 127041886

IUPACN,N-dimethyl-2-[4-[2-pyridin-2-yl-6-(thiophen-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine
SMILESCN(C)CCN1CCN(c2nc(-c3ccccn3)nc3c2CN(Cc2ccsc2)CC3)CC1
InChIInChI=1S/C25H33N7S/c1-29(2)10-11-30-12-14-32(15-13-30)25-21-18-31(17-20-7-16-33-19-20)9-6-22(21)27-24(28-25)23-5-3-4-8-26-23/h3-5,7-8,16,19H,6,9-15,17-18H2,1-2H3
InChIKeyCJBXDWSNSYTYRP-UHFFFAOYSA-N
MW463.66 g/mol
LogP2.84
Rot. Bonds7

About N,N-dimethyl-2-[4-[2-pyridin-2-yl-6-(thiophen-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine

N,N-dimethyl-2-[4-[2-pyridin-2-yl-6-(thiophen-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine (PubChem CID 127041886) has the molecular formula C25H33N7S and a molecular weight of 463.66 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[2-pyridin-2-yl-6-(thiophen-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[2-pyridin-2-yl-6-(thiophen-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine
PubChem CID127041886
Molecular FormulaC25H33N7S
Molecular Weight463.66 g/mol
Exact Mass463.25
IUPAC NameN,N-dimethyl-2-[4-[2-pyridin-2-yl-6-(thiophen-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine
SMILESCN(C)CCN1CCN(c2nc(-c3ccccn3)nc3c2CN(Cc2ccsc2)CC3)CC1
InChIInChI=1S/C25H33N7S/c1-29(2)10-11-30-12-14-32(15-13-30)25-21-18-31(17-20-7-16-33-19-20)9-6-22(21)27-24(28-25)23-5-3-4-8-26-23/h3-5,7-8,16,19H,6,9-15,17-18H2,1-2H3
InChIKeyCJBXDWSNSYTYRP-UHFFFAOYSA-N
XLogP2.84
TPSA51.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.66
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-2-[4-[2-pyridin-2-yl-6-(thiophen-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[2-pyridin-2-yl-6-(thiophen-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-[2-pyridin-2-yl-6-(thiophen-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine (CID 127041886) is N,N-dimethyl-2-[4-[2-pyridin-2-yl-6-(thiophen-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-[2-pyridin-2-yl-6-(thiophen-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-[2-pyridin-2-yl-6-(thiophen-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine is CN(C)CCN1CCN(c2nc(-c3ccccn3)nc3c2CN(Cc2ccsc2)CC3)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-[2-pyridin-2-yl-6-(thiophen-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine?
The InChIKey is CJBXDWSNSYTYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7S/c1-29(2)10-11-30-12-14-32(15-13-30)25-21-18-31(17-20-7-16-33-19-20)9-6-22(21)27-24(28-25)23-5-3-4-8-26-23/h3-5,7-8,16,19H,6,9-15,17-18H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-[2-pyridin-2-yl-6-(thiophen-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine?
N,N-dimethyl-2-[4-[2-pyridin-2-yl-6-(thiophen-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine has a molecular weight of 463.66 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[2-pyridin-2-yl-6-(thiophen-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 127041886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).