N-benzyl-N-ethyl-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C20H25N5 — CID 91961046

IUPACN-benzyl-N-ethyl-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCN(Cc1ccccc1)c1nc(N2CCCC2)nc2[nH]c(C)cc12
InChIInChI=1S/C20H25N5/c1-3-24(14-16-9-5-4-6-10-16)19-17-13-15(2)21-18(17)22-20(23-19)25-11-7-8-12-25/h4-6,9-10,13H,3,7-8,11-12,14H2,1-2H3,(H,21,22,23)
InChIKeyYQSGRWSAIQERBQ-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.89
Rot. Bonds5

About N-benzyl-N-ethyl-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-benzyl-N-ethyl-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 91961046) has the molecular formula C20H25N5 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-benzyl-N-ethyl-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID91961046
Molecular FormulaC20H25N5
Molecular Weight335.45 g/mol
Exact Mass335.21
IUPAC NameN-benzyl-N-ethyl-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCN(Cc1ccccc1)c1nc(N2CCCC2)nc2[nH]c(C)cc12
InChIInChI=1S/C20H25N5/c1-3-24(14-16-9-5-4-6-10-16)19-17-13-15(2)21-18(17)22-20(23-19)25-11-7-8-12-25/h4-6,9-10,13H,3,7-8,11-12,14H2,1-2H3,(H,21,22,23)
InChIKeyYQSGRWSAIQERBQ-UHFFFAOYSA-N
XLogP3.89
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-N-ethyl-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 91961046) is N-benzyl-N-ethyl-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-N-ethyl-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-N-ethyl-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCN(Cc1ccccc1)c1nc(N2CCCC2)nc2[nH]c(C)cc12.
What is the InChIKey of N-benzyl-N-ethyl-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is YQSGRWSAIQERBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-3-24(14-16-9-5-4-6-10-16)19-17-13-15(2)21-18(17)22-20(23-19)25-11-7-8-12-25/h4-6,9-10,13H,3,7-8,11-12,14H2,1-2H3,(H,21,22,23).
What are the key properties of N-benzyl-N-ethyl-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-benzyl-N-ethyl-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 335.45 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91961046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).