4-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine

C17H27N7 — CID 86805430

IUPAC4-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCCN1CCN(CC(C)CNc2ncnc3nc(N)ccc23)CC1
InChIInChI=1S/C17H27N7/c1-3-23-6-8-24(9-7-23)11-13(2)10-19-16-14-4-5-15(18)22-17(14)21-12-20-16/h4-5,12-13H,3,6-11H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyMEQGYUCYONOJRU-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.29
Rot. Bonds6

About 4-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine

4-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 86805430) has the molecular formula C17H27N7 and a molecular weight of 329.45 g/mol. Its IUPAC name is 4-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID86805430
Molecular FormulaC17H27N7
Molecular Weight329.45 g/mol
Exact Mass329.23
IUPAC Name4-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCCN1CCN(CC(C)CNc2ncnc3nc(N)ccc23)CC1
InChIInChI=1S/C17H27N7/c1-3-23-6-8-24(9-7-23)11-13(2)10-19-16-14-4-5-15(18)22-17(14)21-12-20-16/h4-5,12-13H,3,6-11H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyMEQGYUCYONOJRU-UHFFFAOYSA-N
XLogP1.29
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine (CID 86805430) is 4-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine is CCN1CCN(CC(C)CNc2ncnc3nc(N)ccc23)CC1.
What is the InChIKey of 4-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is MEQGYUCYONOJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7/c1-3-23-6-8-24(9-7-23)11-13(2)10-19-16-14-4-5-15(18)22-17(14)21-12-20-16/h4-5,12-13H,3,6-11H2,1-2H3,(H3,18,19,20,21,22).
What are the key properties of 4-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 329.45 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 86805430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).