4-(2,4-dichloro-5-propan-2-yloxyphenyl)-N,N-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboximidamide

C18H19Cl2N5O — CID 69167675

IUPAC4-(2,4-dichloro-5-propan-2-yloxyphenyl)-N,N-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboximidamide
SMILES[H]/N=C(/c1nc(-c2cc(OC(C)C)c(Cl)cc2Cl)c2[nH]ccc2n1)N(C)C
InChIInChI=1S/C18H19Cl2N5O/c1-9(2)26-14-7-10(11(19)8-12(14)20)15-16-13(5-6-22-16)23-18(24-15)17(21)25(3)4/h5-9,21-22H,1-4H3/b21-17-
InChIKeyQJROAYUVKGVJPV-FXBPSFAMSA-N
MW392.29 g/mol
LogP4.61
Rot. Bonds4

About 4-(2,4-dichloro-5-propan-2-yloxyphenyl)-N,N-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboximidamide

4-(2,4-dichloro-5-propan-2-yloxyphenyl)-N,N-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboximidamide (PubChem CID 69167675) has the molecular formula C18H19Cl2N5O and a molecular weight of 392.29 g/mol. Its IUPAC name is 4-(2,4-dichloro-5-propan-2-yloxyphenyl)-N,N-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboximidamide.

Molecular Properties

Compound Name4-(2,4-dichloro-5-propan-2-yloxyphenyl)-N,N-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboximidamide
PubChem CID69167675
Molecular FormulaC18H19Cl2N5O
Molecular Weight392.29 g/mol
Exact Mass391.10
IUPAC Name4-(2,4-dichloro-5-propan-2-yloxyphenyl)-N,N-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboximidamide
SMILES[H]/N=C(/c1nc(-c2cc(OC(C)C)c(Cl)cc2Cl)c2[nH]ccc2n1)N(C)C
InChIInChI=1S/C18H19Cl2N5O/c1-9(2)26-14-7-10(11(19)8-12(14)20)15-16-13(5-6-22-16)23-18(24-15)17(21)25(3)4/h5-9,21-22H,1-4H3/b21-17-
InChIKeyQJROAYUVKGVJPV-FXBPSFAMSA-N
XLogP4.61
TPSA77.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-(2,4-dichloro-5-propan-2-yloxyphenyl)-N,N-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichloro-5-propan-2-yloxyphenyl)-N,N-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboximidamide?
The IUPAC name of 4-(2,4-dichloro-5-propan-2-yloxyphenyl)-N,N-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboximidamide (CID 69167675) is 4-(2,4-dichloro-5-propan-2-yloxyphenyl)-N,N-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboximidamide.
What is the SMILES notation for 4-(2,4-dichloro-5-propan-2-yloxyphenyl)-N,N-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboximidamide?
The canonical SMILES for 4-(2,4-dichloro-5-propan-2-yloxyphenyl)-N,N-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboximidamide is [H]/N=C(/c1nc(-c2cc(OC(C)C)c(Cl)cc2Cl)c2[nH]ccc2n1)N(C)C.
What is the InChIKey of 4-(2,4-dichloro-5-propan-2-yloxyphenyl)-N,N-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboximidamide?
The InChIKey is QJROAYUVKGVJPV-FXBPSFAMSA-N. The full InChI is InChI=1S/C18H19Cl2N5O/c1-9(2)26-14-7-10(11(19)8-12(14)20)15-16-13(5-6-22-16)23-18(24-15)17(21)25(3)4/h5-9,21-22H,1-4H3/b21-17-.
What are the key properties of 4-(2,4-dichloro-5-propan-2-yloxyphenyl)-N,N-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboximidamide?
4-(2,4-dichloro-5-propan-2-yloxyphenyl)-N,N-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboximidamide has a molecular weight of 392.29 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichloro-5-propan-2-yloxyphenyl)-N,N-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboximidamide is sourced from PubChem (CID 69167675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).