6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-methyl-2-N-(oxolan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine

C20H21Cl2N5O3 — CID 135180770

IUPAC6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-methyl-2-N-(oxolan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCNc1nc(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(NC3CCOC3)nc12
InChIInChI=1S/C20H21Cl2N5O3/c1-23-19-18-10(8-24-20(27-18)25-11-4-5-30-9-11)6-12(26-19)15-16(21)13(28-2)7-14(29-3)17(15)22/h6-8,11H,4-5,9H2,1-3H3,(H,23,26)(H,24,25,27)
InChIKeyJRGPZKGDVDUMDO-UHFFFAOYSA-N
MW450.33 g/mol
LogP4.26
Rot. Bonds6

About 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-methyl-2-N-(oxolan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine

6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-methyl-2-N-(oxolan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine (PubChem CID 135180770) has the molecular formula C20H21Cl2N5O3 and a molecular weight of 450.33 g/mol. Its IUPAC name is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-methyl-2-N-(oxolan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine.

Molecular Properties

Compound Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-methyl-2-N-(oxolan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
PubChem CID135180770
Molecular FormulaC20H21Cl2N5O3
Molecular Weight450.33 g/mol
Exact Mass449.10
IUPAC Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-methyl-2-N-(oxolan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCNc1nc(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(NC3CCOC3)nc12
InChIInChI=1S/C20H21Cl2N5O3/c1-23-19-18-10(8-24-20(27-18)25-11-4-5-30-9-11)6-12(26-19)15-16(21)13(28-2)7-14(29-3)17(15)22/h6-8,11H,4-5,9H2,1-3H3,(H,23,26)(H,24,25,27)
InChIKeyJRGPZKGDVDUMDO-UHFFFAOYSA-N
XLogP4.26
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.33
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-methyl-2-N-(oxolan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine?
The IUPAC name of 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) is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-methyl-2-N-(oxolan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine.
What is the SMILES notation for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-methyl-2-N-(oxolan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine?
The canonical SMILES for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-methyl-2-N-(oxolan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine is CNc1nc(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(NC3CCOC3)nc12.
What is the InChIKey of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-methyl-2-N-(oxolan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine?
The InChIKey is JRGPZKGDVDUMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N5O3/c1-23-19-18-10(8-24-20(27-18)25-11-4-5-30-9-11)6-12(26-19)15-16(21)13(28-2)7-14(29-3)17(15)22/h6-8,11H,4-5,9H2,1-3H3,(H,23,26)(H,24,25,27).
What are the key properties of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-methyl-2-N-(oxolan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine?
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-methyl-2-N-(oxolan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine has a molecular weight of 450.33 g/mol, XLogP of 4.26, 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-methyl-2-N-(oxolan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine is sourced from PubChem (CID 135180770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).