6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(2,2-dimethylpropyl)pyrido[3,4-d]pyrimidin-2-amine

C20H22Cl2N4O2 — CID 139395595

IUPAC6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(2,2-dimethylpropyl)pyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(N)nc3c(CC(C)(C)C)n2)c1Cl
InChIInChI=1S/C20H22Cl2N4O2/c1-20(2,3)8-12-18-10(9-24-19(23)26-18)6-11(25-12)15-16(21)13(27-4)7-14(28-5)17(15)22/h6-7,9H,8H2,1-5H3,(H2,23,24,26)
InChIKeyDWSXFAYHPYPLNX-UHFFFAOYSA-N
MW421.33 g/mol
LogP5.19
Rot. Bonds4

About 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(2,2-dimethylpropyl)pyrido[3,4-d]pyrimidin-2-amine

6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(2,2-dimethylpropyl)pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 139395595) has the molecular formula C20H22Cl2N4O2 and a molecular weight of 421.33 g/mol. Its IUPAC name is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(2,2-dimethylpropyl)pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(2,2-dimethylpropyl)pyrido[3,4-d]pyrimidin-2-amine
PubChem CID139395595
Molecular FormulaC20H22Cl2N4O2
Molecular Weight421.33 g/mol
Exact Mass420.11
IUPAC Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(2,2-dimethylpropyl)pyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(N)nc3c(CC(C)(C)C)n2)c1Cl
InChIInChI=1S/C20H22Cl2N4O2/c1-20(2,3)8-12-18-10(9-24-19(23)26-18)6-11(25-12)15-16(21)13(27-4)7-14(28-5)17(15)22/h6-7,9H,8H2,1-5H3,(H2,23,24,26)
InChIKeyDWSXFAYHPYPLNX-UHFFFAOYSA-N
XLogP5.19
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.33
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(2,2-dimethylpropyl)pyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(2,2-dimethylpropyl)pyrido[3,4-d]pyrimidin-2-amine (CID 139395595) is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(2,2-dimethylpropyl)pyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(2,2-dimethylpropyl)pyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(2,2-dimethylpropyl)pyrido[3,4-d]pyrimidin-2-amine is COc1cc(OC)c(Cl)c(-c2cc3cnc(N)nc3c(CC(C)(C)C)n2)c1Cl.
What is the InChIKey of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(2,2-dimethylpropyl)pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is DWSXFAYHPYPLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4O2/c1-20(2,3)8-12-18-10(9-24-19(23)26-18)6-11(25-12)15-16(21)13(27-4)7-14(28-5)17(15)22/h6-7,9H,8H2,1-5H3,(H2,23,24,26).
What are the key properties of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(2,2-dimethylpropyl)pyrido[3,4-d]pyrimidin-2-amine?
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(2,2-dimethylpropyl)pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 421.33 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(2,2-dimethylpropyl)pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 139395595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).