N-pyridin-2-yl-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine

C16H12N6 — CID 24992716

IUPACN-pyridin-2-yl-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine
SMILESc1ccc(Nc2nccc(-c3c[nH]c4ccncc34)n2)nc1
InChIInChI=1S/C16H12N6/c1-2-6-18-15(3-1)22-16-19-8-5-14(21-16)12-10-20-13-4-7-17-9-11(12)13/h1-10,20H,(H,18,19,21,22)
InChIKeyCLSRGOBRIBPAEP-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.16
Rot. Bonds3

About N-pyridin-2-yl-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine

N-pyridin-2-yl-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 24992716) has the molecular formula C16H12N6 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-pyridin-2-yl-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-pyridin-2-yl-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine
PubChem CID24992716
Molecular FormulaC16H12N6
Molecular Weight288.31 g/mol
Exact Mass288.11
IUPAC NameN-pyridin-2-yl-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine
SMILESc1ccc(Nc2nccc(-c3c[nH]c4ccncc34)n2)nc1
InChIInChI=1S/C16H12N6/c1-2-6-18-15(3-1)22-16-19-8-5-14(21-16)12-10-20-13-4-7-17-9-11(12)13/h1-10,20H,(H,18,19,21,22)
InChIKeyCLSRGOBRIBPAEP-UHFFFAOYSA-N
XLogP3.16
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of N-pyridin-2-yl-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine (CID 24992716) is N-pyridin-2-yl-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-pyridin-2-yl-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-pyridin-2-yl-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine is c1ccc(Nc2nccc(-c3c[nH]c4ccncc34)n2)nc1.
What is the InChIKey of N-pyridin-2-yl-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is CLSRGOBRIBPAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6/c1-2-6-18-15(3-1)22-16-19-8-5-14(21-16)12-10-20-13-4-7-17-9-11(12)13/h1-10,20H,(H,18,19,21,22).
What are the key properties of N-pyridin-2-yl-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine?
N-pyridin-2-yl-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 288.31 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 24992716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).