1-N-[3-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]propane-1,2-diamine

C15H18N6 — CID 90993316

IUPAC1-N-[3-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]propane-1,2-diamine
SMILESCc1nccc(-c2c[nH]c3nccc(NCC(C)N)c23)n1
InChIInChI=1S/C15H18N6/c1-9(16)7-19-13-4-6-18-15-14(13)11(8-20-15)12-3-5-17-10(2)21-12/h3-6,8-9H,7,16H2,1-2H3,(H2,18,19,20)
InChIKeyLJBHXLXHVSUPGB-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.09
Rot. Bonds4

About 1-N-[3-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]propane-1,2-diamine

1-N-[3-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]propane-1,2-diamine (PubChem CID 90993316) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-N-[3-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-[3-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]propane-1,2-diamine
PubChem CID90993316
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name1-N-[3-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]propane-1,2-diamine
SMILESCc1nccc(-c2c[nH]c3nccc(NCC(C)N)c23)n1
InChIInChI=1S/C15H18N6/c1-9(16)7-19-13-4-6-18-15-14(13)11(8-20-15)12-3-5-17-10(2)21-12/h3-6,8-9H,7,16H2,1-2H3,(H2,18,19,20)
InChIKeyLJBHXLXHVSUPGB-UHFFFAOYSA-N
XLogP2.09
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]propane-1,2-diamine?
The IUPAC name of 1-N-[3-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]propane-1,2-diamine (CID 90993316) is 1-N-[3-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]propane-1,2-diamine.
What is the SMILES notation for 1-N-[3-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]propane-1,2-diamine?
The canonical SMILES for 1-N-[3-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]propane-1,2-diamine is Cc1nccc(-c2c[nH]c3nccc(NCC(C)N)c23)n1.
What is the InChIKey of 1-N-[3-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]propane-1,2-diamine?
The InChIKey is LJBHXLXHVSUPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-9(16)7-19-13-4-6-18-15-14(13)11(8-20-15)12-3-5-17-10(2)21-12/h3-6,8-9H,7,16H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-N-[3-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]propane-1,2-diamine?
1-N-[3-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]propane-1,2-diamine has a molecular weight of 282.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]propane-1,2-diamine is sourced from PubChem (CID 90993316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).