N-butyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

C24H26N4 — CID 4113046

IUPACN-butyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCCN(C)c1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1
InChIInChI=1S/C24H26N4/c1-4-5-14-27(3)23-22-21(19-11-7-6-8-12-19)16-28(24(22)26-17-25-23)20-13-9-10-18(2)15-20/h6-13,15-17H,4-5,14H2,1-3H3
InChIKeyHCIZZMXXGHQZIM-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.63
Rot. Bonds6

About N-butyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

N-butyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 4113046) has the molecular formula C24H26N4 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-butyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID4113046
Molecular FormulaC24H26N4
Molecular Weight370.50 g/mol
Exact Mass370.22
IUPAC NameN-butyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCCN(C)c1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1
InChIInChI=1S/C24H26N4/c1-4-5-14-27(3)23-22-21(19-11-7-6-8-12-19)16-28(24(22)26-17-25-23)20-13-9-10-18(2)15-20/h6-13,15-17H,4-5,14H2,1-3H3
InChIKeyHCIZZMXXGHQZIM-UHFFFAOYSA-N
XLogP5.63
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-butyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 4113046) is N-butyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-butyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-butyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is CCCCN(C)c1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1.
What is the InChIKey of N-butyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HCIZZMXXGHQZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4/c1-4-5-14-27(3)23-22-21(19-11-7-6-8-12-19)16-28(24(22)26-17-25-23)20-13-9-10-18(2)15-20/h6-13,15-17H,4-5,14H2,1-3H3.
What are the key properties of N-butyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
N-butyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 370.50 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4113046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).