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

C30H41N7 — CID 127041889

IUPACN,N-dimethyl-2-[4-[6-[(4-propan-2-ylphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine
SMILESCC(C)c1ccc(CN2CCc3nc(-c4ccccn4)nc(N4CCN(CCN(C)C)CC4)c3C2)cc1
InChIInChI=1S/C30H41N7/c1-23(2)25-10-8-24(9-11-25)21-36-14-12-27-26(22-36)30(33-29(32-27)28-7-5-6-13-31-28)37-19-17-35(18-20-37)16-15-34(3)4/h5-11,13,23H,12,14-22H2,1-4H3
InChIKeyMMYYWRJEZSSVIK-UHFFFAOYSA-N
MW499.71 g/mol
LogP3.90
Rot. Bonds8

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

N,N-dimethyl-2-[4-[6-[(4-propan-2-ylphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine (PubChem CID 127041889) has the molecular formula C30H41N7 and a molecular weight of 499.71 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[6-[(4-propan-2-ylphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[6-[(4-propan-2-ylphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine
PubChem CID127041889
Molecular FormulaC30H41N7
Molecular Weight499.71 g/mol
Exact Mass499.34
IUPAC NameN,N-dimethyl-2-[4-[6-[(4-propan-2-ylphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine
SMILESCC(C)c1ccc(CN2CCc3nc(-c4ccccn4)nc(N4CCN(CCN(C)C)CC4)c3C2)cc1
InChIInChI=1S/C30H41N7/c1-23(2)25-10-8-24(9-11-25)21-36-14-12-27-26(22-36)30(33-29(32-27)28-7-5-6-13-31-28)37-19-17-35(18-20-37)16-15-34(3)4/h5-11,13,23H,12,14-22H2,1-4H3
InChIKeyMMYYWRJEZSSVIK-UHFFFAOYSA-N
XLogP3.90
TPSA51.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.71
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[6-[(4-propan-2-ylphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-[6-[(4-propan-2-ylphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine (CID 127041889) is N,N-dimethyl-2-[4-[6-[(4-propan-2-ylphenyl)methyl]-2-pyridin-2-yl-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-[6-[(4-propan-2-ylphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-[6-[(4-propan-2-ylphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine is CC(C)c1ccc(CN2CCc3nc(-c4ccccn4)nc(N4CCN(CCN(C)C)CC4)c3C2)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-[6-[(4-propan-2-ylphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine?
The InChIKey is MMYYWRJEZSSVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N7/c1-23(2)25-10-8-24(9-11-25)21-36-14-12-27-26(22-36)30(33-29(32-27)28-7-5-6-13-31-28)37-19-17-35(18-20-37)16-15-34(3)4/h5-11,13,23H,12,14-22H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[4-[6-[(4-propan-2-ylphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine?
N,N-dimethyl-2-[4-[6-[(4-propan-2-ylphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine has a molecular weight of 499.71 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[6-[(4-propan-2-ylphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 127041889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).