2-methyl-4-phenyl-6-pyrrolidin-2-yl-5H-pyrrolo[3,2-d]pyrimidine

C17H18N4 — CID 67174564

IUPAC2-methyl-4-phenyl-6-pyrrolidin-2-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(-c2ccccc2)c2[nH]c(C3CCCN3)cc2n1
InChIInChI=1S/C17H18N4/c1-11-19-15-10-14(13-8-5-9-18-13)21-17(15)16(20-11)12-6-3-2-4-7-12/h2-4,6-7,10,13,18,21H,5,8-9H2,1H3
InChIKeyJIJIHEGMFUVHCV-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.36
Rot. Bonds2

About 2-methyl-4-phenyl-6-pyrrolidin-2-yl-5H-pyrrolo[3,2-d]pyrimidine

2-methyl-4-phenyl-6-pyrrolidin-2-yl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 67174564) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-methyl-4-phenyl-6-pyrrolidin-2-yl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-phenyl-6-pyrrolidin-2-yl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID67174564
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name2-methyl-4-phenyl-6-pyrrolidin-2-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(-c2ccccc2)c2[nH]c(C3CCCN3)cc2n1
InChIInChI=1S/C17H18N4/c1-11-19-15-10-14(13-8-5-9-18-13)21-17(15)16(20-11)12-6-3-2-4-7-12/h2-4,6-7,10,13,18,21H,5,8-9H2,1H3
InChIKeyJIJIHEGMFUVHCV-UHFFFAOYSA-N
XLogP3.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-6-pyrrolidin-2-yl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-methyl-4-phenyl-6-pyrrolidin-2-yl-5H-pyrrolo[3,2-d]pyrimidine (CID 67174564) is 2-methyl-4-phenyl-6-pyrrolidin-2-yl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-phenyl-6-pyrrolidin-2-yl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-methyl-4-phenyl-6-pyrrolidin-2-yl-5H-pyrrolo[3,2-d]pyrimidine is Cc1nc(-c2ccccc2)c2[nH]c(C3CCCN3)cc2n1.
What is the InChIKey of 2-methyl-4-phenyl-6-pyrrolidin-2-yl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is JIJIHEGMFUVHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-11-19-15-10-14(13-8-5-9-18-13)21-17(15)16(20-11)12-6-3-2-4-7-12/h2-4,6-7,10,13,18,21H,5,8-9H2,1H3.
What are the key properties of 2-methyl-4-phenyl-6-pyrrolidin-2-yl-5H-pyrrolo[3,2-d]pyrimidine?
2-methyl-4-phenyl-6-pyrrolidin-2-yl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 278.36 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-6-pyrrolidin-2-yl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 67174564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).