5-(3-methoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine

C17H19N5O — CID 15858667

IUPAC5-(3-methoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2cn(C3CCNC3)c3ncnc(N)c23)c1
InChIInChI=1S/C17H19N5O/c1-23-13-4-2-3-11(7-13)14-9-22(12-5-6-19-8-12)17-15(14)16(18)20-10-21-17/h2-4,7,9-10,12,19H,5-6,8H2,1H3,(H2,18,20,21)
InChIKeyYZMSNPZCAJEYHF-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.22
Rot. Bonds3

About 5-(3-methoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine

5-(3-methoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 15858667) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID15858667
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name5-(3-methoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2cn(C3CCNC3)c3ncnc(N)c23)c1
InChIInChI=1S/C17H19N5O/c1-23-13-4-2-3-11(7-13)14-9-22(12-5-6-19-8-12)17-15(14)16(18)20-10-21-17/h2-4,7,9-10,12,19H,5-6,8H2,1H3,(H2,18,20,21)
InChIKeyYZMSNPZCAJEYHF-UHFFFAOYSA-N
XLogP2.22
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 54369
CID 54369
CID 11476171
CID 11476171
CID 6539952
CID 6539952
CID 5311381
CID 5311381
CID 9825149
CID 9825149
CID 45270897
CID 45270897
CID 6603792
CID 6603792
CID 5329128
CID 5329128
CID 22736361
CID 22736361
CID 67035535
CID 67035535
CID 162361997
CID 162361997
CID 5289228
CID 5289228

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-methoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 15858667) is 5-(3-methoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-methoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-methoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine is COc1cccc(-c2cn(C3CCNC3)c3ncnc(N)c23)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is YZMSNPZCAJEYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-23-13-4-2-3-11(7-13)14-9-22(12-5-6-19-8-12)17-15(14)16(18)20-10-21-17/h2-4,7,9-10,12,19H,5-6,8H2,1H3,(H2,18,20,21).
What are the key properties of 5-(3-methoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?
5-(3-methoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 309.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 15858667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).