N',N'-dimethyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]ethane-1,2-diamine

C15H18N6 — CID 141301509

IUPACN',N'-dimethyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1ncc(-c2cnc3[nH]ccc3c2)cn1
InChIInChI=1S/C15H18N6/c1-21(2)6-5-17-15-19-9-13(10-20-15)12-7-11-3-4-16-14(11)18-8-12/h3-4,7-10H,5-6H2,1-2H3,(H,16,18)(H,17,19,20)
InChIKeyDSMALWUMGYNNCC-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.99
Rot. Bonds5

About N',N'-dimethyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]ethane-1,2-diamine

N',N'-dimethyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 141301509) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is N',N'-dimethyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]ethane-1,2-diamine
PubChem CID141301509
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC NameN',N'-dimethyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1ncc(-c2cnc3[nH]ccc3c2)cn1
InChIInChI=1S/C15H18N6/c1-21(2)6-5-17-15-19-9-13(10-20-15)12-7-11-3-4-16-14(11)18-8-12/h3-4,7-10H,5-6H2,1-2H3,(H,16,18)(H,17,19,20)
InChIKeyDSMALWUMGYNNCC-UHFFFAOYSA-N
XLogP1.99
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]ethane-1,2-diamine (CID 141301509) is N',N'-dimethyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]ethane-1,2-diamine is CN(C)CCNc1ncc(-c2cnc3[nH]ccc3c2)cn1.
What is the InChIKey of N',N'-dimethyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is DSMALWUMGYNNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-21(2)6-5-17-15-19-9-13(10-20-15)12-7-11-3-4-16-14(11)18-8-12/h3-4,7-10H,5-6H2,1-2H3,(H,16,18)(H,17,19,20).
What are the key properties of N',N'-dimethyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 282.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 141301509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).