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

C18H23N5 — CID 4911345

IUPACN-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCc1c(C)n(-c2ccccc2)c2ncnc(NCCN(C)C)c12
InChIInChI=1S/C18H23N5/c1-13-14(2)23(15-8-6-5-7-9-15)18-16(13)17(20-12-21-18)19-10-11-22(3)4/h5-9,12H,10-11H2,1-4H3,(H,19,20,21)
InChIKeySDGWTLVQEJMDCK-UHFFFAOYSA-N
MW309.42 g/mol
LogP3.01
Rot. Bonds5

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

N-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 4911345) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID4911345
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC NameN-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCc1c(C)n(-c2ccccc2)c2ncnc(NCCN(C)C)c12
InChIInChI=1S/C18H23N5/c1-13-14(2)23(15-8-6-5-7-9-15)18-16(13)17(20-12-21-18)19-10-11-22(3)4/h5-9,12H,10-11H2,1-4H3,(H,19,20,21)
InChIKeySDGWTLVQEJMDCK-UHFFFAOYSA-N
XLogP3.01
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine (CID 4911345) is N-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine is Cc1c(C)n(-c2ccccc2)c2ncnc(NCCN(C)C)c12.
What is the InChIKey of N-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is SDGWTLVQEJMDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-13-14(2)23(15-8-6-5-7-9-15)18-16(13)17(20-12-21-18)19-10-11-22(3)4/h5-9,12H,10-11H2,1-4H3,(H,19,20,21).
What are the key properties of N-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
N-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 309.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 4911345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).