N',N'-dimethyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine

C10H15N5 — CID 76848852

IUPACN',N'-dimethyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1ncnc2[nH]ccc12
InChIInChI=1S/C10H15N5/c1-15(2)6-5-12-10-8-3-4-11-9(8)13-7-14-10/h3-4,7H,5-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyLVNTWNJJISNLPS-UHFFFAOYSA-N
MW205.27 g/mol
LogP0.93
Rot. Bonds4

About N',N'-dimethyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 76848852) has the molecular formula C10H15N5 and a molecular weight of 205.27 g/mol. Its IUPAC name is N',N'-dimethyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
PubChem CID76848852
Molecular FormulaC10H15N5
Molecular Weight205.27 g/mol
Exact Mass205.13
IUPAC NameN',N'-dimethyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1ncnc2[nH]ccc12
InChIInChI=1S/C10H15N5/c1-15(2)6-5-12-10-8-3-4-11-9(8)13-7-14-10/h3-4,7H,5-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyLVNTWNJJISNLPS-UHFFFAOYSA-N
XLogP0.93
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine (CID 76848852) is N',N'-dimethyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine is CN(C)CCNc1ncnc2[nH]ccc12.
What is the InChIKey of N',N'-dimethyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is LVNTWNJJISNLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-15(2)6-5-12-10-8-3-4-11-9(8)13-7-14-10/h3-4,7H,5-6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of N',N'-dimethyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 205.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 76848852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).