4-(1-ethylpiperidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine

C13H21N5 — CID 4201906

IUPAC4-(1-ethylpiperidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCN1CCCCC1c1nc(N)nc2c1CCN2
InChIInChI=1S/C13H21N5/c1-2-18-8-4-3-5-10(18)11-9-6-7-15-12(9)17-13(14)16-11/h10H,2-8H2,1H3,(H3,14,15,16,17)
InChIKeyBBWMKFWSFCPGNO-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.57
Rot. Bonds2

About 4-(1-ethylpiperidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine

4-(1-ethylpiperidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 4201906) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 4-(1-ethylpiperidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-ethylpiperidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID4201906
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name4-(1-ethylpiperidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCN1CCCCC1c1nc(N)nc2c1CCN2
InChIInChI=1S/C13H21N5/c1-2-18-8-4-3-5-10(18)11-9-6-7-15-12(9)17-13(14)16-11/h10H,2-8H2,1H3,(H3,14,15,16,17)
InChIKeyBBWMKFWSFCPGNO-UHFFFAOYSA-N
XLogP1.57
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpiperidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(1-ethylpiperidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 4201906) is 4-(1-ethylpiperidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(1-ethylpiperidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(1-ethylpiperidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine is CCN1CCCCC1c1nc(N)nc2c1CCN2.
What is the InChIKey of 4-(1-ethylpiperidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is BBWMKFWSFCPGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-2-18-8-4-3-5-10(18)11-9-6-7-15-12(9)17-13(14)16-11/h10H,2-8H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-(1-ethylpiperidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-(1-ethylpiperidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 247.35 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpiperidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 4201906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).