8-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-7H-pyrido[3,4-d]pyrimidine-2,8-diamine

C19H21Cl2N5O2 — CID 150371254

About 8-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-7H-pyrido[3,4-d]pyrimidine-2,8-diamine

8-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-7H-pyrido[3,4-d]pyrimidine-2,8-diamine (PubChem CID 150371254) has the molecular formula C19H21Cl2N5O2 and a molecular weight of 422.32 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-7H-pyrido[3,4-d]pyrimidine-2,8-diamine.

Molecular Properties

• Compound Name: 8-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-7H-pyrido[3,4-d]pyrimidine-2,8-diamine
• PubChem CID: 150371254
• Molecular Formula: C19H21Cl2N5O2
• Molecular Weight: 422.32 g/mol
• Exact Mass: 421.11
• IUPAC Name: 8-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-7H-pyrido[3,4-d]pyrimidine-2,8-diamine
• SMILES: COc1cc(OC)c(Cl)c(C2=Cc3cnc(N)nc3C(N)(CC3CC3)N2)c1Cl
• InChI: InChI=1S/C19H21Cl2N5O2/c1-27-12-6-13(28-2)16(21)14(15(12)20)11-5-10-8-24-18(22)25-17(10)19(23,26-11)7-9-3-4-9/h5-6,8-9,26H,3-4,7,23H2,1-2H3,(H2,22,24,25)
• InChIKey: GXTVRYPAISWCSV-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 108.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.32
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-7H-pyrido[3,4-d]pyrimidine-2,8-diamine?

The IUPAC name of 8-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-7H-pyrido[3,4-d]pyrimidine-2,8-diamine (CID 150371254) is 8-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-7H-pyrido[3,4-d]pyrimidine-2,8-diamine.

What is the SMILES notation for 8-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-7H-pyrido[3,4-d]pyrimidine-2,8-diamine?

The canonical SMILES for 8-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-7H-pyrido[3,4-d]pyrimidine-2,8-diamine is COc1cc(OC)c(Cl)c(C2=Cc3cnc(N)nc3C(N)(CC3CC3)N2)c1Cl.

What is the InChIKey of 8-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-7H-pyrido[3,4-d]pyrimidine-2,8-diamine?

The InChIKey is GXTVRYPAISWCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N5O2/c1-27-12-6-13(28-2)16(21)14(15(12)20)11-5-10-8-24-18(22)25-17(10)19(23,26-11)7-9-3-4-9/h5-6,8-9,26H,3-4,7,23H2,1-2H3,(H2,22,24,25).

What are the key properties of 8-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-7H-pyrido[3,4-d]pyrimidine-2,8-diamine?

8-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-7H-pyrido[3,4-d]pyrimidine-2,8-diamine has a molecular weight of 422.32 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-7H-pyrido[3,4-d]pyrimidine-2,8-diamine is sourced from PubChem (CID 150371254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).