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

C19H22BrN5O — CID 146212990

IUPACN-[(3-bromophenyl)methyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NCc2cccc(Br)c2)c2cc(OCCN(C)C)ncc2n1
InChIInChI=1S/C19H22BrN5O/c1-13-23-17-12-21-18(26-8-7-25(2)3)10-16(17)19(24-13)22-11-14-5-4-6-15(20)9-14/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,22,23,24)
InChIKeyGJZPCOOMBQHBLE-UHFFFAOYSA-N
MW416.32 g/mol
LogP3.65
Rot. Bonds7

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

N-[(3-bromophenyl)methyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 146212990) has the molecular formula C19H22BrN5O and a molecular weight of 416.32 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID146212990
Molecular FormulaC19H22BrN5O
Molecular Weight416.32 g/mol
Exact Mass415.10
IUPAC NameN-[(3-bromophenyl)methyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NCc2cccc(Br)c2)c2cc(OCCN(C)C)ncc2n1
InChIInChI=1S/C19H22BrN5O/c1-13-23-17-12-21-18(26-8-7-25(2)3)10-16(17)19(24-13)22-11-14-5-4-6-15(20)9-14/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,22,23,24)
InChIKeyGJZPCOOMBQHBLE-UHFFFAOYSA-N
XLogP3.65
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-bromophenyl)methyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(3-bromophenyl)ethyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine
CID 146197424
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-methoxy-2-methylpyrimido[5,4-d]pyrimidin-4-amine
CID 146212943
6-bromo-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]quinazolin-4-amine
CID 133431334
3-[4-[(3-bromophenyl)methylamino]-6-methoxy-2-methylquinazolin-7-yl]oxy-N-methoxy-N-methylpropanamide
CID 171600533
4-N-[(3-bromophenyl)methyl]-2,6-dimethylpyrimidine-4,5-diamine
CID 158200511
4-N-[(3-bromophenyl)methyl]-6-methoxy-7-N,2-dimethyl-7-N-(7-piperidin-1-ylheptyl)quinazoline-4,7-diamine
CID 165134670
N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133462199
5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine
CID 79718282
N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-amine
CID 133431338
N-[(3-bromophenyl)methyl]-6-ethoxypyrimidin-4-amine
CID 66329969
N-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320817

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine (CID 146212990) is N-[(3-bromophenyl)methyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine is Cc1nc(NCc2cccc(Br)c2)c2cc(OCCN(C)C)ncc2n1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is GJZPCOOMBQHBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN5O/c1-13-23-17-12-21-18(26-8-7-25(2)3)10-16(17)19(24-13)22-11-14-5-4-6-15(20)9-14/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,22,23,24).
What are the key properties of N-[(3-bromophenyl)methyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine?
N-[(3-bromophenyl)methyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 416.32 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146212990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).