6-(3,4-dimethoxyphenyl)-4-[2-(1-phenoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidin-2-amine

C27H30N6O3 — CID 68919380

IUPAC6-(3,4-dimethoxyphenyl)-4-[2-(1-phenoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidin-2-amine
SMILESCOc1ccc(-c2ccc3nc(N)nc(N4CCNCC4C(C)Oc4ccccc4)c3n2)cc1OC
InChIInChI=1S/C27H30N6O3/c1-17(36-19-7-5-4-6-8-19)22-16-29-13-14-33(22)26-25-21(31-27(28)32-26)11-10-20(30-25)18-9-12-23(34-2)24(15-18)35-3/h4-12,15,17,22,29H,13-14,16H2,1-3H3,(H2,28,31,32)
InChIKeyBDNICWMFTYGLQO-UHFFFAOYSA-N
MW486.58 g/mol
LogP3.54
Rot. Bonds7

About 6-(3,4-dimethoxyphenyl)-4-[2-(1-phenoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidin-2-amine

6-(3,4-dimethoxyphenyl)-4-[2-(1-phenoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 68919380) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-4-[2-(1-phenoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-4-[2-(1-phenoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidin-2-amine
PubChem CID68919380
Molecular FormulaC27H30N6O3
Molecular Weight486.58 g/mol
Exact Mass486.24
IUPAC Name6-(3,4-dimethoxyphenyl)-4-[2-(1-phenoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidin-2-amine
SMILESCOc1ccc(-c2ccc3nc(N)nc(N4CCNCC4C(C)Oc4ccccc4)c3n2)cc1OC
InChIInChI=1S/C27H30N6O3/c1-17(36-19-7-5-4-6-8-19)22-16-29-13-14-33(22)26-25-21(31-27(28)32-26)11-10-20(30-25)18-9-12-23(34-2)24(15-18)35-3/h4-12,15,17,22,29H,13-14,16H2,1-3H3,(H2,28,31,32)
InChIKeyBDNICWMFTYGLQO-UHFFFAOYSA-N
XLogP3.54
TPSA107.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-(3,4-dimethoxyphenyl)-4-[2-(1-phenoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidin-2-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-4-[2-(1-phenoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-4-[2-(1-phenoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidin-2-amine (CID 68919380) is 6-(3,4-dimethoxyphenyl)-4-[2-(1-phenoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-4-[2-(1-phenoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-4-[2-(1-phenoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidin-2-amine is COc1ccc(-c2ccc3nc(N)nc(N4CCNCC4C(C)Oc4ccccc4)c3n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-4-[2-(1-phenoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is BDNICWMFTYGLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3/c1-17(36-19-7-5-4-6-8-19)22-16-29-13-14-33(22)26-25-21(31-27(28)32-26)11-10-20(30-25)18-9-12-23(34-2)24(15-18)35-3/h4-12,15,17,22,29H,13-14,16H2,1-3H3,(H2,28,31,32).
What are the key properties of 6-(3,4-dimethoxyphenyl)-4-[2-(1-phenoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidin-2-amine?
6-(3,4-dimethoxyphenyl)-4-[2-(1-phenoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 486.58 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-4-[2-(1-phenoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 68919380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).