4-[4-(2-methoxyethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine

C14H20N6O — CID 133408246

IUPAC4-[4-(2-methoxyethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
SMILESCOCCN1CCN(c2ncnc3nc(N)ccc23)CC1
InChIInChI=1S/C14H20N6O/c1-21-9-8-19-4-6-20(7-5-19)14-11-2-3-12(15)18-13(11)16-10-17-14/h2-3,10H,4-9H2,1H3,(H2,15,16,17,18)
InChIKeyHHPTXYYVGSLMRS-UHFFFAOYSA-N
MW288.36 g/mol
LogP0.38
Rot. Bonds4

About 4-[4-(2-methoxyethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine

4-[4-(2-methoxyethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine (PubChem CID 133408246) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 4-[4-(2-methoxyethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name4-[4-(2-methoxyethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
PubChem CID133408246
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name4-[4-(2-methoxyethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
SMILESCOCCN1CCN(c2ncnc3nc(N)ccc23)CC1
InChIInChI=1S/C14H20N6O/c1-21-9-8-19-4-6-20(7-5-19)14-11-2-3-12(15)18-13(11)16-10-17-14/h2-3,10H,4-9H2,1H3,(H2,15,16,17,18)
InChIKeyHHPTXYYVGSLMRS-UHFFFAOYSA-N
XLogP0.38
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133408364
5-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-2-amine
CID 43461954
[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 133409016
4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 75434688
4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133407178
[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-cyclopentylmethanone
CID 133408843
4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133407155
[1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)-4-(2,2-difluoroethyl)piperidin-4-yl]methanol
CID 166307195
[1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133408361
4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133407726
9-(2-methoxyethyl)-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]purine
CID 163344885
2-[4-(6-amino-5-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107226746

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine?
The IUPAC name of 4-[4-(2-methoxyethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine (CID 133408246) is 4-[4-(2-methoxyethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine.
What is the SMILES notation for 4-[4-(2-methoxyethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine?
The canonical SMILES for 4-[4-(2-methoxyethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine is COCCN1CCN(c2ncnc3nc(N)ccc23)CC1.
What is the InChIKey of 4-[4-(2-methoxyethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine?
The InChIKey is HHPTXYYVGSLMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-21-9-8-19-4-6-20(7-5-19)14-11-2-3-12(15)18-13(11)16-10-17-14/h2-3,10H,4-9H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-[4-(2-methoxyethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine?
4-[4-(2-methoxyethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine has a molecular weight of 288.36 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine is sourced from PubChem (CID 133408246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).