6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethylpyrido[3,4-d]pyrimidine-2,8-diamine

C17H17Cl2N5O2 — CID 135180014

IUPAC6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethylpyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCCNc1nc(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(N)nc12
InChIInChI=1S/C17H17Cl2N5O2/c1-4-21-16-15-8(7-22-17(20)24-15)5-9(23-16)12-13(18)10(25-2)6-11(26-3)14(12)19/h5-7H,4H2,1-3H3,(H,21,23)(H2,20,22,24)
InChIKeyRXIAIPNEPAIDDG-UHFFFAOYSA-N
MW394.26 g/mol
LogP4.03
Rot. Bonds5

About 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethylpyrido[3,4-d]pyrimidine-2,8-diamine

6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethylpyrido[3,4-d]pyrimidine-2,8-diamine (PubChem CID 135180014) has the molecular formula C17H17Cl2N5O2 and a molecular weight of 394.26 g/mol. Its IUPAC name is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethylpyrido[3,4-d]pyrimidine-2,8-diamine.

Molecular Properties

Compound Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethylpyrido[3,4-d]pyrimidine-2,8-diamine
PubChem CID135180014
Molecular FormulaC17H17Cl2N5O2
Molecular Weight394.26 g/mol
Exact Mass393.08
IUPAC Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethylpyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCCNc1nc(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(N)nc12
InChIInChI=1S/C17H17Cl2N5O2/c1-4-21-16-15-8(7-22-17(20)24-15)5-9(23-16)12-13(18)10(25-2)6-11(26-3)14(12)19/h5-7H,4H2,1-3H3,(H,21,23)(H2,20,22,24)
InChIKeyRXIAIPNEPAIDDG-UHFFFAOYSA-N
XLogP4.03
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-(oxetan-3-ylmethyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135179900
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-[(1-methylazetidin-3-yl)methyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135179896
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-(oxan-4-ylmethyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135179912
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[3,4-d]pyrimidin-2-amine
CID 167095664
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-(oxetan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135179910
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(2,2-dimethylpropyl)pyrido[3,4-d]pyrimidin-2-amine
CID 139395595
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethyl-2-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine;oxolane
CID 142381362
6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-N-(2,2,2-trifluoroethyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 142381219
N-[[2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]methyl]methanesulfonamide
CID 167095702
6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-N,8-N-dimethylpyrido[3,4-d]pyrimidine-2,8-diamine;propane
CID 142380947
6-(2-chloro-3,5-dimethoxy-6-methylphenyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135180154
6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 139395868

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethylpyrido[3,4-d]pyrimidine-2,8-diamine?
The IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethylpyrido[3,4-d]pyrimidine-2,8-diamine (CID 135180014) is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethylpyrido[3,4-d]pyrimidine-2,8-diamine.
What is the SMILES notation for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethylpyrido[3,4-d]pyrimidine-2,8-diamine?
The canonical SMILES for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethylpyrido[3,4-d]pyrimidine-2,8-diamine is CCNc1nc(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(N)nc12.
What is the InChIKey of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethylpyrido[3,4-d]pyrimidine-2,8-diamine?
The InChIKey is RXIAIPNEPAIDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O2/c1-4-21-16-15-8(7-22-17(20)24-15)5-9(23-16)12-13(18)10(25-2)6-11(26-3)14(12)19/h5-7H,4H2,1-3H3,(H,21,23)(H2,20,22,24).
What are the key properties of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethylpyrido[3,4-d]pyrimidine-2,8-diamine?
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethylpyrido[3,4-d]pyrimidine-2,8-diamine has a molecular weight of 394.26 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethylpyrido[3,4-d]pyrimidine-2,8-diamine is sourced from PubChem (CID 135180014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).