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

C20H28N6 — CID 56750796

IUPACN,N-dimethyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCc1ccccc1N1CCN(c2nc(N(C)C)nc3c2CCNC3)CC1
InChIInChI=1S/C20H28N6/c1-15-6-4-5-7-18(15)25-10-12-26(13-11-25)19-16-8-9-21-14-17(16)22-20(23-19)24(2)3/h4-7,21H,8-14H2,1-3H3
InChIKeyFPGLHACFSCQXJE-UHFFFAOYSA-N
MW352.49 g/mol
LogP1.82
Rot. Bonds3

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

N,N-dimethyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (PubChem CID 56750796) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
PubChem CID56750796
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC NameN,N-dimethyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCc1ccccc1N1CCN(c2nc(N(C)C)nc3c2CCNC3)CC1
InChIInChI=1S/C20H28N6/c1-15-6-4-5-7-18(15)25-10-12-26(13-11-25)19-16-8-9-21-14-17(16)22-20(23-19)24(2)3/h4-7,21H,8-14H2,1-3H3
InChIKeyFPGLHACFSCQXJE-UHFFFAOYSA-N
XLogP1.82
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (CID 56750796) is N,N-dimethyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is Cc1ccccc1N1CCN(c2nc(N(C)C)nc3c2CCNC3)CC1.
What is the InChIKey of N,N-dimethyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is FPGLHACFSCQXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-15-6-4-5-7-18(15)25-10-12-26(13-11-25)19-16-8-9-21-14-17(16)22-20(23-19)24(2)3/h4-7,21H,8-14H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
N,N-dimethyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 352.49 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 56750796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).