6-methyl-N-(3-prop-2-enoxyphenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C20H23N5O — CID 91960851

IUPAC6-methyl-N-(3-prop-2-enoxyphenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC=CCOc1cccc(Nc2nc(N3CCCC3)nc3[nH]c(C)cc23)c1
InChIInChI=1S/C20H23N5O/c1-3-11-26-16-8-6-7-15(13-16)22-19-17-12-14(2)21-18(17)23-20(24-19)25-9-4-5-10-25/h3,6-8,12-13H,1,4-5,9-11H2,2H3,(H2,21,22,23,24)
InChIKeyIZAPMTCPMPMARS-UHFFFAOYSA-N
MW349.44 g/mol
LogP4.17
Rot. Bonds6

About 6-methyl-N-(3-prop-2-enoxyphenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

6-methyl-N-(3-prop-2-enoxyphenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 91960851) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 6-methyl-N-(3-prop-2-enoxyphenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(3-prop-2-enoxyphenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID91960851
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name6-methyl-N-(3-prop-2-enoxyphenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC=CCOc1cccc(Nc2nc(N3CCCC3)nc3[nH]c(C)cc23)c1
InChIInChI=1S/C20H23N5O/c1-3-11-26-16-8-6-7-15(13-16)22-19-17-12-14(2)21-18(17)23-20(24-19)25-9-4-5-10-25/h3,6-8,12-13H,1,4-5,9-11H2,2H3,(H2,21,22,23,24)
InChIKeyIZAPMTCPMPMARS-UHFFFAOYSA-N
XLogP4.17
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-(4-phenoxyphenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961019
N-(3,4-difluorophenyl)-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91960952
N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91960829
6-methyl-N-(pyridin-2-ylmethyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91960947
N-(5-chloro-2-methylphenyl)-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91960897
[4-[(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 91960840
4-(azepan-1-yl)-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 91961000
6-methyl-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961042
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961196
2,6-dimethyl-N-(4-piperidin-1-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430903
4-[[(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]benzoic acid
CID 91960995
N-(2,4-dimethoxyphenyl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961212

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-prop-2-enoxyphenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(3-prop-2-enoxyphenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 91960851) is 6-methyl-N-(3-prop-2-enoxyphenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(3-prop-2-enoxyphenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(3-prop-2-enoxyphenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is C=CCOc1cccc(Nc2nc(N3CCCC3)nc3[nH]c(C)cc23)c1.
What is the InChIKey of 6-methyl-N-(3-prop-2-enoxyphenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is IZAPMTCPMPMARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-3-11-26-16-8-6-7-15(13-16)22-19-17-12-14(2)21-18(17)23-20(24-19)25-9-4-5-10-25/h3,6-8,12-13H,1,4-5,9-11H2,2H3,(H2,21,22,23,24).
What are the key properties of 6-methyl-N-(3-prop-2-enoxyphenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-methyl-N-(3-prop-2-enoxyphenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 349.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-prop-2-enoxyphenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91960851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).