6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethyl-2-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine;oxolane

C22H27Cl2N5O3 — CID 142381362

IUPAC6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethyl-2-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine;oxolane
SMILESC1CCOC1.CCNc1nc(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(NC)nc12
InChIInChI=1S/C18H19Cl2N5O2.C4H8O/c1-5-22-17-16-9(8-23-18(21-2)25-16)6-10(24-17)13-14(19)11(26-3)7-12(27-4)15(13)20;1-2-4-5-3-1/h6-8H,5H2,1-4H3,(H,22,24)(H,21,23,25);1-4H2
InChIKeyUVJWXYPVQFKXCI-UHFFFAOYSA-N
MW480.40 g/mol
LogP5.29
Rot. Bonds6

About 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethyl-2-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine;oxolane

6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethyl-2-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine;oxolane (PubChem CID 142381362) has the molecular formula C22H27Cl2N5O3 and a molecular weight of 480.40 g/mol. Its IUPAC name is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethyl-2-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine;oxolane.

Molecular Properties

Compound Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethyl-2-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine;oxolane
PubChem CID142381362
Molecular FormulaC22H27Cl2N5O3
Molecular Weight480.40 g/mol
Exact Mass479.15
IUPAC Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethyl-2-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine;oxolane
SMILESC1CCOC1.CCNc1nc(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(NC)nc12
InChIInChI=1S/C18H19Cl2N5O2.C4H8O/c1-5-22-17-16-9(8-23-18(21-2)25-16)6-10(24-17)13-14(19)11(26-3)7-12(27-4)15(13)20;1-2-4-5-3-1/h6-8H,5H2,1-4H3,(H,22,24)(H,21,23,25);1-4H2
InChIKeyUVJWXYPVQFKXCI-UHFFFAOYSA-N
XLogP5.29
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.40
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethyl-2-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine;oxolane 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

6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-N,8-N-dimethylpyrido[3,4-d]pyrimidine-2,8-diamine;propane
CID 142380947
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 135180014
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-methyl-2-N-(oxolan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135180770
8-N-(cyclopentylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-N-(oxolan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135181175
6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-N-(oxolan-3-yl)-8-N-(2,2,2-trifluoroethyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135180995
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-methyl-2-N-[(3S,4R)-4-methyloxolan-3-yl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 157302741
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)-2-N-methyl-8-N-[(1-methylpyrrolidin-3-yl)methyl]pyrido[3,4-d]pyrimidine-2,8-diamine;1-ethoxypropane
CID 142381537
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-(oxetan-3-ylmethyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135179900
3-(2,6-dichloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;2-methylbut-2-ene;oxolane
CID 142381022
N-[(3R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(oxan-4-ylmethylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide
CID 139456493
[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(ethylamino)pyrido[3,4-d]pyrimidin-2-yl]-[4-(prop-2-enoylamino)oxolan-3-yl]azanide
CID 163978344

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethyl-2-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine;oxolane?
The IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethyl-2-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine;oxolane (CID 142381362) is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethyl-2-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine;oxolane.
What is the SMILES notation for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethyl-2-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine;oxolane?
The canonical SMILES for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethyl-2-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine;oxolane is C1CCOC1.CCNc1nc(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(NC)nc12.
What is the InChIKey of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethyl-2-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine;oxolane?
The InChIKey is UVJWXYPVQFKXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5O2.C4H8O/c1-5-22-17-16-9(8-23-18(21-2)25-16)6-10(24-17)13-14(19)11(26-3)7-12(27-4)15(13)20;1-2-4-5-3-1/h6-8H,5H2,1-4H3,(H,22,24)(H,21,23,25);1-4H2.
What are the key properties of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethyl-2-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine;oxolane?
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethyl-2-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine;oxolane has a molecular weight of 480.40 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethyl-2-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine;oxolane is sourced from PubChem (CID 142381362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).