2-methyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C18H21N5 — CID 10267224

IUPAC2-methyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2cccc(N3CCCC3)c2)c2cc[nH]c2n1
InChIInChI=1S/C18H21N5/c1-13-21-17-16(7-8-19-17)18(22-13)20-12-14-5-4-6-15(11-14)23-9-2-3-10-23/h4-8,11H,2-3,9-10,12H2,1H3,(H2,19,20,21,22)
InChIKeyFLNOGAWOYJQDRB-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.48
Rot. Bonds4

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

2-methyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 10267224) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-methyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID10267224
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-methyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2cccc(N3CCCC3)c2)c2cc[nH]c2n1
InChIInChI=1S/C18H21N5/c1-13-21-17-16(7-8-19-17)18(22-13)20-12-14-5-4-6-15(11-14)23-9-2-3-10-23/h4-8,11H,2-3,9-10,12H2,1H3,(H2,19,20,21,22)
InChIKeyFLNOGAWOYJQDRB-UHFFFAOYSA-N
XLogP3.48
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 10267224) is 2-methyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(NCc2cccc(N3CCCC3)c2)c2cc[nH]c2n1.
What is the InChIKey of 2-methyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is FLNOGAWOYJQDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-13-21-17-16(7-8-19-17)18(22-13)20-12-14-5-4-6-15(11-14)23-9-2-3-10-23/h4-8,11H,2-3,9-10,12H2,1H3,(H2,19,20,21,22).
What are the key properties of 2-methyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-methyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 307.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10267224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).