3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile

C19H21N5O — CID 660048

IUPAC3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
SMILESCc1c(C#N)c2ncn(CCCN(C)C)c(=O)c2n1-c1ccccc1
InChIInChI=1S/C19H21N5O/c1-14-16(12-20)17-18(24(14)15-8-5-4-6-9-15)19(25)23(13-21-17)11-7-10-22(2)3/h4-6,8-9,13H,7,10-11H2,1-3H3
InChIKeyQYXVMFFNXHKZMB-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.32
Rot. Bonds5

About 3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile

3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile (PubChem CID 660048) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
PubChem CID660048
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
SMILESCc1c(C#N)c2ncn(CCCN(C)C)c(=O)c2n1-c1ccccc1
InChIInChI=1S/C19H21N5O/c1-14-16(12-20)17-18(24(14)15-8-5-4-6-9-15)19(25)23(13-21-17)11-7-10-22(2)3/h4-6,8-9,13H,7,10-11H2,1-3H3
InChIKeyQYXVMFFNXHKZMB-UHFFFAOYSA-N
XLogP2.32
TPSA66.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The IUPAC name of 3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile (CID 660048) is 3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile is Cc1c(C#N)c2ncn(CCCN(C)C)c(=O)c2n1-c1ccccc1.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The InChIKey is QYXVMFFNXHKZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-16(12-20)17-18(24(14)15-8-5-4-6-9-15)19(25)23(13-21-17)11-7-10-22(2)3/h4-6,8-9,13H,7,10-11H2,1-3H3.
What are the key properties of 3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile?
3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile has a molecular weight of 335.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile is sourced from PubChem (CID 660048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).