N-[1-(3-bromophenyl)ethyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine

C20H24BrN5O — CID 146197424

IUPACN-[1-(3-bromophenyl)ethyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NC(C)c2cccc(Br)c2)c2cc(OCCN(C)C)ncc2n1
InChIInChI=1S/C20H24BrN5O/c1-13(15-6-5-7-16(21)10-15)23-20-17-11-19(27-9-8-26(3)4)22-12-18(17)24-14(2)25-20/h5-7,10-13H,8-9H2,1-4H3,(H,23,24,25)
InChIKeyDPYLGWPXLWKNCJ-UHFFFAOYSA-N
MW430.35 g/mol
LogP4.21
Rot. Bonds7

About N-[1-(3-bromophenyl)ethyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine

N-[1-(3-bromophenyl)ethyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 146197424) has the molecular formula C20H24BrN5O and a molecular weight of 430.35 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID146197424
Molecular FormulaC20H24BrN5O
Molecular Weight430.35 g/mol
Exact Mass429.12
IUPAC NameN-[1-(3-bromophenyl)ethyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NC(C)c2cccc(Br)c2)c2cc(OCCN(C)C)ncc2n1
InChIInChI=1S/C20H24BrN5O/c1-13(15-6-5-7-16(21)10-15)23-20-17-11-19(27-9-8-26(3)4)22-12-18(17)24-14(2)25-20/h5-7,10-13H,8-9H2,1-4H3,(H,23,24,25)
InChIKeyDPYLGWPXLWKNCJ-UHFFFAOYSA-N
XLogP4.21
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(3-bromophenyl)ethyl]-6-[3-(dimethylamino)propoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine
CID 146197349
N-[(3-bromophenyl)methyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine
CID 146212990
4-[(1R)-1-[(6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]benzonitrile
CID 146197383
7-[4-[[(1R)-1-(3-bromophenyl)ethyl]amino]-6-methoxy-2-methylquinazolin-7-yl]oxy-N-methoxy-N-methylheptanamide
CID 166536441
4-N-[1-(3-bromophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80807914
N-[7-[4-[1-(3-bromophenyl)ethylamino]-6-methoxy-2-methylquinazolin-7-yl]oxyheptyl]-3,3-diphenylpropanamide
CID 171735456
7-(9-aminonon-7-ynyl)-N-[(1R)-1-(3-bromophenyl)ethyl]-6-methoxy-2-methylquinazolin-4-amine
CID 165134820
N-[1-(1H-indazol-4-yl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine;methane
CID 167652006
4-N-[1-(3-bromophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80808005
2-[4-[[(1R)-1-(3-bromophenyl)ethyl]amino]-6-methoxy-2-methylquinazolin-7-yl]oxy-1-[4-(3-piperidin-1-ylpropyl)piperazin-1-yl]ethanone
CID 165134680
N-[1-(4-bromophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 135336419
6-bromo-N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylquinazolin-4-amine
CID 166541195

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine (CID 146197424) is N-[1-(3-bromophenyl)ethyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine is Cc1nc(NC(C)c2cccc(Br)c2)c2cc(OCCN(C)C)ncc2n1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is DPYLGWPXLWKNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN5O/c1-13(15-6-5-7-16(21)10-15)23-20-17-11-19(27-9-8-26(3)4)22-12-18(17)24-14(2)25-20/h5-7,10-13H,8-9H2,1-4H3,(H,23,24,25).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine?
N-[1-(3-bromophenyl)ethyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 430.35 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146197424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).