N-[6-(cyclopentylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine

C21H23N5 — CID 46213406

IUPACN-[6-(cyclopentylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine
SMILESc1ccc2ncc(Nc3ncnc4c3CN(CC3CCCC3)C4)cc2c1
InChIInChI=1S/C21H23N5/c1-2-6-15(5-1)11-26-12-18-20(13-26)23-14-24-21(18)25-17-9-16-7-3-4-8-19(16)22-10-17/h3-4,7-10,14-15H,1-2,5-6,11-13H2,(H,23,24,25)
InChIKeyVPAOHQFKKUUFMF-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.27
Rot. Bonds4

About N-[6-(cyclopentylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine

N-[6-(cyclopentylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine (PubChem CID 46213406) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[6-(cyclopentylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine.

Molecular Properties

Compound NameN-[6-(cyclopentylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine
PubChem CID46213406
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC NameN-[6-(cyclopentylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine
SMILESc1ccc2ncc(Nc3ncnc4c3CN(CC3CCCC3)C4)cc2c1
InChIInChI=1S/C21H23N5/c1-2-6-15(5-1)11-26-12-18-20(13-26)23-14-24-21(18)25-17-9-16-7-3-4-8-19(16)22-10-17/h3-4,7-10,14-15H,1-2,5-6,11-13H2,(H,23,24,25)
InChIKeyVPAOHQFKKUUFMF-UHFFFAOYSA-N
XLogP4.27
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopentylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine?
The IUPAC name of N-[6-(cyclopentylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine (CID 46213406) is N-[6-(cyclopentylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine.
What is the SMILES notation for N-[6-(cyclopentylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine?
The canonical SMILES for N-[6-(cyclopentylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine is c1ccc2ncc(Nc3ncnc4c3CN(CC3CCCC3)C4)cc2c1.
What is the InChIKey of N-[6-(cyclopentylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine?
The InChIKey is VPAOHQFKKUUFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-2-6-15(5-1)11-26-12-18-20(13-26)23-14-24-21(18)25-17-9-16-7-3-4-8-19(16)22-10-17/h3-4,7-10,14-15H,1-2,5-6,11-13H2,(H,23,24,25).
What are the key properties of N-[6-(cyclopentylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine?
N-[6-(cyclopentylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine has a molecular weight of 345.45 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopentylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine is sourced from PubChem (CID 46213406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).