4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine

C18H21BrN6 — CID 5328310

IUPAC4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine
SMILESCN(C)CCN(C)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1
InChIInChI=1S/C18H21BrN6/c1-24(2)7-8-25(3)17-10-16-15(11-20-17)18(22-12-21-16)23-14-6-4-5-13(19)9-14/h4-6,9-12H,7-8H2,1-3H3,(H,21,22,23)
InChIKeySXQLAYKKOJLZRB-UHFFFAOYSA-N
MW401.31 g/mol
LogP3.53
Rot. Bonds6

About 4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine

4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine (PubChem CID 5328310) has the molecular formula C18H21BrN6 and a molecular weight of 401.31 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine
PubChem CID5328310
Molecular FormulaC18H21BrN6
Molecular Weight401.31 g/mol
Exact Mass400.10
IUPAC Name4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine
SMILESCN(C)CCN(C)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1
InChIInChI=1S/C18H21BrN6/c1-24(2)7-8-25(3)17-10-16-15(11-20-17)18(22-12-21-16)23-14-6-4-5-13(19)9-14/h4-6,9-12H,7-8H2,1-3H3,(H,21,22,23)
InChIKeySXQLAYKKOJLZRB-UHFFFAOYSA-N
XLogP3.53
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine with MolForge

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Related Compounds

Pd 158780
CID 4707
N4-(3-Bromophenyl)quinazoline-4,6-diamine
CID 5328042
4-N-(3-bromophenyl)-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328252
4-N-(3-bromophenyl)-7-N,7-N-dimethylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328253
4-N-(3-bromophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328258
4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328261
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
6-Amino-4-[(3-bromophenyl)amino]-7-(methylamino)quinazoline
CID 4706
7-Amino-4-[(3-bromophenyl)amino]quinazoline
CID 5328045
N-(3-bromophenyl)-8-methyl-8H-pyrrolo[3,2-g]quinazolin-4-amine
CID 5328285
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 5g
CID 5328340
4-[(3-Bromophenyl)amino]-6-[(2-hydroxyethyl)amino]-pyrido[3,4-d]pyrimidine
CID 5328350

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine (CID 5328310) is 4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine is CN(C)CCN(C)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1.
What is the InChIKey of 4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine?
The InChIKey is SXQLAYKKOJLZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN6/c1-24(2)7-8-25(3)17-10-16-15(11-20-17)18(22-12-21-16)23-14-6-4-5-13(19)9-14/h4-6,9-12H,7-8H2,1-3H3,(H,21,22,23).
What are the key properties of 4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine?
4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine has a molecular weight of 401.31 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 5328310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).