1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one

C22H26N6O3 — CID 59647867

IUPAC1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2nc(N)nc3ccc(-c4ccc(OC)c(OC)c4)nc23)CC1
InChIInChI=1S/C22H26N6O3/c1-4-19(29)27-9-11-28(12-10-27)21-20-16(25-22(23)26-21)7-6-15(24-20)14-5-8-17(30-2)18(13-14)31-3/h5-8,13H,4,9-12H2,1-3H3,(H2,23,25,26)
InChIKeyHASRFFJGPPHOFJ-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.35
Rot. Bonds5

About 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one

1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one (PubChem CID 59647867) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
PubChem CID59647867
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2nc(N)nc3ccc(-c4ccc(OC)c(OC)c4)nc23)CC1
InChIInChI=1S/C22H26N6O3/c1-4-19(29)27-9-11-28(12-10-27)21-20-16(25-22(23)26-21)7-6-15(24-20)14-5-8-17(30-2)18(13-14)31-3/h5-8,13H,4,9-12H2,1-3H3,(H2,23,25,26)
InChIKeyHASRFFJGPPHOFJ-UHFFFAOYSA-N
XLogP2.35
TPSA106.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 59647833
4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 68920782
4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-benzylpiperazine-1-carboxamide
CID 68919243
4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 68919359
4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-cyclohexylpiperazine-1-carboxamide
CID 68912399
4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 68914496
1-[4-[2-amino-6-(3,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 110194428
1-[4-[2-amino-6-(3-ethoxy-4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 59647922
4-(3-aminopyrrolidin-1-yl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-2-amine
CID 68843943
1-[4-[2-amino-6-(3,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 68915006
1-[4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 46175008
2-[[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-1-[4-[(2E)-penta-2,4-dienyl]piperazin-1-yl]ethanone
CID 143254058

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one (CID 59647867) is 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2nc(N)nc3ccc(-c4ccc(OC)c(OC)c4)nc23)CC1.
What is the InChIKey of 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The InChIKey is HASRFFJGPPHOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-4-19(29)27-9-11-28(12-10-27)21-20-16(25-22(23)26-21)7-6-15(24-20)14-5-8-17(30-2)18(13-14)31-3/h5-8,13H,4,9-12H2,1-3H3,(H2,23,25,26).
What are the key properties of 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one has a molecular weight of 422.49 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 59647867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).