4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine

C14H13BrN6 — CID 5328337

IUPAC4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESCN(C)c1ncc2ncnc(Nc3cccc(Br)c3)c2n1
InChIInChI=1S/C14H13BrN6/c1-21(2)14-16-7-11-12(20-14)13(18-8-17-11)19-10-5-3-4-9(15)6-10/h3-8H,1-2H3,(H,17,18,19)
InChIKeyMEEGNTPYUPZJPV-UHFFFAOYSA-N
MW345.20 g/mol
LogP2.99
Rot. Bonds3

About 4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine

4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine (PubChem CID 5328337) has the molecular formula C14H13BrN6 and a molecular weight of 345.20 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine
PubChem CID5328337
Molecular FormulaC14H13BrN6
Molecular Weight345.20 g/mol
Exact Mass344.04
IUPAC Name4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESCN(C)c1ncc2ncnc(Nc3cccc(Br)c3)c2n1
InChIInChI=1S/C14H13BrN6/c1-21(2)14-16-7-11-12(20-14)13(18-8-17-11)19-10-5-3-4-9(15)6-10/h3-8H,1-2H3,(H,17,18,19)
InChIKeyMEEGNTPYUPZJPV-UHFFFAOYSA-N
XLogP2.99
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Brimonidine
CID 2435
Pd 158780
CID 4707
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
4,5-Didehydro brimonidine
CID 10214826
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
4-[(3-Bromophenyl)amino]-6-[N-(2-hydroxyethyl)-N-methylamino]pyrido[3,4-d]pyrimidine
CID 5328351
4-[(3-Bromophenyl)amino]-6-[N-(2,3-dihydroxypropyl)-N-methylamino]pyrido[3,4-d]pyrimidine
CID 5328353
4-[(3-Bromophenyl)amino]6-[(3-morpholinopropyl)amino]pyrido[3,4-d]pyrimidine
CID 5328361

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine (CID 5328337) is 4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine is CN(C)c1ncc2ncnc(Nc3cccc(Br)c3)c2n1.
What is the InChIKey of 4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is MEEGNTPYUPZJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN6/c1-21(2)14-16-7-11-12(20-14)13(18-8-17-11)19-10-5-3-4-9(15)6-10/h3-8H,1-2H3,(H,17,18,19).
What are the key properties of 4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine?
4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 345.20 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrimido[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 5328337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).