6-[4-(dimethylamino)phenyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

C20H26N4O2 — CID 101232007

IUPAC6-[4-(dimethylamino)phenyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)c2[nH]c(-c3ccc(N(C)C)cc3)cc2n(CCC)c1=O
InChIInChI=1S/C20H26N4O2/c1-5-11-23-17-13-16(14-7-9-15(10-8-14)22(3)4)21-18(17)19(25)24(12-6-2)20(23)26/h7-10,13,21H,5-6,11-12H2,1-4H3
InChIKeyQPNMJZMDLKVTOJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.04
Rot. Bonds6

About 6-[4-(dimethylamino)phenyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

6-[4-(dimethylamino)phenyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 101232007) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID101232007
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name6-[4-(dimethylamino)phenyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)c2[nH]c(-c3ccc(N(C)C)cc3)cc2n(CCC)c1=O
InChIInChI=1S/C20H26N4O2/c1-5-11-23-17-13-16(14-7-9-15(10-8-14)22(3)4)21-18(17)19(25)24(12-6-2)20(23)26/h7-10,13,21H,5-6,11-12H2,1-4H3
InChIKeyQPNMJZMDLKVTOJ-UHFFFAOYSA-N
XLogP3.04
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (CID 101232007) is 6-[4-(dimethylamino)phenyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is CCCn1c(=O)c2[nH]c(-c3ccc(N(C)C)cc3)cc2n(CCC)c1=O.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is QPNMJZMDLKVTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-5-11-23-17-13-16(14-7-9-15(10-8-14)22(3)4)21-18(17)19(25)24(12-6-2)20(23)26/h7-10,13,21H,5-6,11-12H2,1-4H3.
What are the key properties of 6-[4-(dimethylamino)phenyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
6-[4-(dimethylamino)phenyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 354.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 101232007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).