7-(2,4-dichlorophenyl)-5-methyl-N,N-dipropylpyrrolo[3,2-d]pyrimidin-4-amine

C19H22Cl2N4 — CID 18380188

IUPAC7-(2,4-dichlorophenyl)-5-methyl-N,N-dipropylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESCCCN(CCC)c1ncnc2c(-c3ccc(Cl)cc3Cl)cn(C)c12
InChIInChI=1S/C19H22Cl2N4/c1-4-8-25(9-5-2)19-18-17(22-12-23-19)15(11-24(18)3)14-7-6-13(20)10-16(14)21/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyMIDJZTHKQNJFHY-UHFFFAOYSA-N
MW377.32 g/mol
LogP5.57
Rot. Bonds6

About 7-(2,4-dichlorophenyl)-5-methyl-N,N-dipropylpyrrolo[3,2-d]pyrimidin-4-amine

7-(2,4-dichlorophenyl)-5-methyl-N,N-dipropylpyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 18380188) has the molecular formula C19H22Cl2N4 and a molecular weight of 377.32 g/mol. Its IUPAC name is 7-(2,4-dichlorophenyl)-5-methyl-N,N-dipropylpyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(2,4-dichlorophenyl)-5-methyl-N,N-dipropylpyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID18380188
Molecular FormulaC19H22Cl2N4
Molecular Weight377.32 g/mol
Exact Mass376.12
IUPAC Name7-(2,4-dichlorophenyl)-5-methyl-N,N-dipropylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESCCCN(CCC)c1ncnc2c(-c3ccc(Cl)cc3Cl)cn(C)c12
InChIInChI=1S/C19H22Cl2N4/c1-4-8-25(9-5-2)19-18-17(22-12-23-19)15(11-24(18)3)14-7-6-13(20)10-16(14)21/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyMIDJZTHKQNJFHY-UHFFFAOYSA-N
XLogP5.57
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.32
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dichlorophenyl)-5-methyl-N,N-dipropylpyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-(2,4-dichlorophenyl)-5-methyl-N,N-dipropylpyrrolo[3,2-d]pyrimidin-4-amine (CID 18380188) is 7-(2,4-dichlorophenyl)-5-methyl-N,N-dipropylpyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(2,4-dichlorophenyl)-5-methyl-N,N-dipropylpyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-(2,4-dichlorophenyl)-5-methyl-N,N-dipropylpyrrolo[3,2-d]pyrimidin-4-amine is CCCN(CCC)c1ncnc2c(-c3ccc(Cl)cc3Cl)cn(C)c12.
What is the InChIKey of 7-(2,4-dichlorophenyl)-5-methyl-N,N-dipropylpyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is MIDJZTHKQNJFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4/c1-4-8-25(9-5-2)19-18-17(22-12-23-19)15(11-24(18)3)14-7-6-13(20)10-16(14)21/h6-7,10-12H,4-5,8-9H2,1-3H3.
What are the key properties of 7-(2,4-dichlorophenyl)-5-methyl-N,N-dipropylpyrrolo[3,2-d]pyrimidin-4-amine?
7-(2,4-dichlorophenyl)-5-methyl-N,N-dipropylpyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 377.32 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dichlorophenyl)-5-methyl-N,N-dipropylpyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 18380188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).