4-(3-aminopropyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

C14H16N6 — CID 25164571

IUPAC4-(3-aminopropyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESNCCCc1cc(-c2c[nH]c3ncccc23)nc(N)n1
InChIInChI=1S/C14H16N6/c15-5-1-3-9-7-12(20-14(16)19-9)11-8-18-13-10(11)4-2-6-17-13/h2,4,6-8H,1,3,5,15H2,(H,17,18)(H2,16,19,20)
InChIKeyIJNFIPXBSIWMSM-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.49
Rot. Bonds4

About 4-(3-aminopropyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

4-(3-aminopropyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 25164571) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(3-aminopropyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminopropyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
PubChem CID25164571
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name4-(3-aminopropyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESNCCCc1cc(-c2c[nH]c3ncccc23)nc(N)n1
InChIInChI=1S/C14H16N6/c15-5-1-3-9-7-12(20-14(16)19-9)11-8-18-13-10(11)4-2-6-17-13/h2,4,6-8H,1,3,5,15H2,(H,17,18)(H2,16,19,20)
InChIKeyIJNFIPXBSIWMSM-UHFFFAOYSA-N
XLogP1.49
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(3-aminopropyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (CID 25164571) is 4-(3-aminopropyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminopropyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-aminopropyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is NCCCc1cc(-c2c[nH]c3ncccc23)nc(N)n1.
What is the InChIKey of 4-(3-aminopropyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is IJNFIPXBSIWMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c15-5-1-3-9-7-12(20-14(16)19-9)11-8-18-13-10(11)4-2-6-17-13/h2,4,6-8H,1,3,5,15H2,(H,17,18)(H2,16,19,20).
What are the key properties of 4-(3-aminopropyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
4-(3-aminopropyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 268.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 25164571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).