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

C17H30N6 — CID 4912729

IUPACN-[7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1c(C)n(CCCN(C)C)c2ncnc(NCCN(C)C)c12
InChIInChI=1S/C17H30N6/c1-13-14(2)23(10-7-9-21(3)4)17-15(13)16(19-12-20-17)18-8-11-22(5)6/h12H,7-11H2,1-6H3,(H,18,19,20)
InChIKeyQCDHKISVNNZLLS-UHFFFAOYSA-N
MW318.47 g/mol
LogP1.97
Rot. Bonds8

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

N-[7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 4912729) has the molecular formula C17H30N6 and a molecular weight of 318.47 g/mol. Its IUPAC name is N-[7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID4912729
Molecular FormulaC17H30N6
Molecular Weight318.47 g/mol
Exact Mass318.25
IUPAC NameN-[7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1c(C)n(CCCN(C)C)c2ncnc(NCCN(C)C)c12
InChIInChI=1S/C17H30N6/c1-13-14(2)23(10-7-9-21(3)4)17-15(13)16(19-12-20-17)18-8-11-22(5)6/h12H,7-11H2,1-6H3,(H,18,19,20)
InChIKeyQCDHKISVNNZLLS-UHFFFAOYSA-N
XLogP1.97
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 4912729) is N-[7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine is Cc1c(C)n(CCCN(C)C)c2ncnc(NCCN(C)C)c12.
What is the InChIKey of N-[7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is QCDHKISVNNZLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6/c1-13-14(2)23(10-7-9-21(3)4)17-15(13)16(19-12-20-17)18-8-11-22(5)6/h12H,7-11H2,1-6H3,(H,18,19,20).
What are the key properties of N-[7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 318.47 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 4912729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).