2,6-dichloro-4,8-bis(2,4-dichlorophenoxy)pyrimido[5,4-d]pyrimidine

C18H6Cl6N4O2 — CID 13059758

IUPAC2,6-dichloro-4,8-bis(2,4-dichlorophenoxy)pyrimido[5,4-d]pyrimidine
SMILESClc1ccc(Oc2nc(Cl)nc3c(Oc4ccc(Cl)cc4Cl)nc(Cl)nc23)c(Cl)c1
InChIInChI=1S/C18H6Cl6N4O2/c19-7-1-3-11(9(21)5-7)29-15-13-14(26-17(23)27-15)16(28-18(24)25-13)30-12-4-2-8(20)6-10(12)22/h1-6H
InChIKeyXVCHFMNNIAKXRI-UHFFFAOYSA-N
MW522.99 g/mol
LogP7.92
Rot. Bonds4

About 2,6-dichloro-4,8-bis(2,4-dichlorophenoxy)pyrimido[5,4-d]pyrimidine

2,6-dichloro-4,8-bis(2,4-dichlorophenoxy)pyrimido[5,4-d]pyrimidine (PubChem CID 13059758) has the molecular formula C18H6Cl6N4O2 and a molecular weight of 522.99 g/mol. Its IUPAC name is 2,6-dichloro-4,8-bis(2,4-dichlorophenoxy)pyrimido[5,4-d]pyrimidine.

Molecular Properties

Compound Name2,6-dichloro-4,8-bis(2,4-dichlorophenoxy)pyrimido[5,4-d]pyrimidine
PubChem CID13059758
Molecular FormulaC18H6Cl6N4O2
Molecular Weight522.99 g/mol
Exact Mass519.86
IUPAC Name2,6-dichloro-4,8-bis(2,4-dichlorophenoxy)pyrimido[5,4-d]pyrimidine
SMILESClc1ccc(Oc2nc(Cl)nc3c(Oc4ccc(Cl)cc4Cl)nc(Cl)nc23)c(Cl)c1
InChIInChI=1S/C18H6Cl6N4O2/c19-7-1-3-11(9(21)5-7)29-15-13-14(26-17(23)27-15)16(28-18(24)25-13)30-12-4-2-8(20)6-10(12)22/h1-6H
InChIKeyXVCHFMNNIAKXRI-UHFFFAOYSA-N
XLogP7.92
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.99
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 60699117
3-chloro-6-(2,4-dichlorophenoxy)-4,5-dimethylpyridazine
CID 55168913
5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine
CID 80869450
3-(chloromethyl)-2-(2,4-dichlorophenoxy)pyridine
CID 61268068
3-(bromomethyl)-2-(2,4-dichlorophenoxy)quinoline
CID 107087175
6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine
CID 80950356
6-chloro-2-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376846
2,4-dichloro-1-(3,5-dimethoxyphenoxy)benzene
CID 102485149
5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol
CID 67724550
4-chloro-6-(2,4-dichlorophenoxy)-5-propylpyrimidine
CID 63735554
4-(chloromethyl)-1-(2,4-dichlorophenoxy)isoquinoline
CID 106769528
3-(2,4-dichlorophenoxy)-1-methylpyrazol-4-amine;hydrochloride
CID 102565571

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4,8-bis(2,4-dichlorophenoxy)pyrimido[5,4-d]pyrimidine?
The IUPAC name of 2,6-dichloro-4,8-bis(2,4-dichlorophenoxy)pyrimido[5,4-d]pyrimidine (CID 13059758) is 2,6-dichloro-4,8-bis(2,4-dichlorophenoxy)pyrimido[5,4-d]pyrimidine.
What is the SMILES notation for 2,6-dichloro-4,8-bis(2,4-dichlorophenoxy)pyrimido[5,4-d]pyrimidine?
The canonical SMILES for 2,6-dichloro-4,8-bis(2,4-dichlorophenoxy)pyrimido[5,4-d]pyrimidine is Clc1ccc(Oc2nc(Cl)nc3c(Oc4ccc(Cl)cc4Cl)nc(Cl)nc23)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4,8-bis(2,4-dichlorophenoxy)pyrimido[5,4-d]pyrimidine?
The InChIKey is XVCHFMNNIAKXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6Cl6N4O2/c19-7-1-3-11(9(21)5-7)29-15-13-14(26-17(23)27-15)16(28-18(24)25-13)30-12-4-2-8(20)6-10(12)22/h1-6H.
What are the key properties of 2,6-dichloro-4,8-bis(2,4-dichlorophenoxy)pyrimido[5,4-d]pyrimidine?
2,6-dichloro-4,8-bis(2,4-dichlorophenoxy)pyrimido[5,4-d]pyrimidine has a molecular weight of 522.99 g/mol, XLogP of 7.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4,8-bis(2,4-dichlorophenoxy)pyrimido[5,4-d]pyrimidine is sourced from PubChem (CID 13059758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).