N-(7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine

C19H25N5 — CID 4906255

IUPACN-(7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCc1c(C)n(Cc2ccccc2)c2ncnc(NCCN(C)C)c12
InChIInChI=1S/C19H25N5/c1-14-15(2)24(12-16-8-6-5-7-9-16)19-17(14)18(21-13-22-19)20-10-11-23(3)4/h5-9,13H,10-12H2,1-4H3,(H,20,21,22)
InChIKeyCFQQSBRCCZTGGS-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.07
Rot. Bonds6

About N-(7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine

N-(7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 4906255) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID4906255
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC NameN-(7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCc1c(C)n(Cc2ccccc2)c2ncnc(NCCN(C)C)c12
InChIInChI=1S/C19H25N5/c1-14-15(2)24(12-16-8-6-5-7-9-16)19-17(14)18(21-13-22-19)20-10-11-23(3)4/h5-9,13H,10-12H2,1-4H3,(H,20,21,22)
InChIKeyCFQQSBRCCZTGGS-UHFFFAOYSA-N
XLogP3.07
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine (CID 4906255) is N-(7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine is Cc1c(C)n(Cc2ccccc2)c2ncnc(NCCN(C)C)c12.
What is the InChIKey of N-(7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is CFQQSBRCCZTGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-14-15(2)24(12-16-8-6-5-7-9-16)19-17(14)18(21-13-22-19)20-10-11-23(3)4/h5-9,13H,10-12H2,1-4H3,(H,20,21,22).
What are the key properties of N-(7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
N-(7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 323.44 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 4906255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).