4-[3-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine

C16H15N5O — CID 71580835

IUPAC4-[3-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine
SMILESNc1nccc(-n2cc(C3=CCOCC3)c3cnccc32)n1
InChIInChI=1S/C16H15N5O/c17-16-19-6-2-15(20-16)21-10-13(11-3-7-22-8-4-11)12-9-18-5-1-14(12)21/h1-3,5-6,9-10H,4,7-8H2,(H2,17,19,20)
InChIKeyCSGCDMVLAQPKKB-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.20
Rot. Bonds2

About 4-[3-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine

4-[3-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine (PubChem CID 71580835) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-[3-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine
PubChem CID71580835
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name4-[3-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine
SMILESNc1nccc(-n2cc(C3=CCOCC3)c3cnccc32)n1
InChIInChI=1S/C16H15N5O/c17-16-19-6-2-15(20-16)21-10-13(11-3-7-22-8-4-11)12-9-18-5-1-14(12)21/h1-3,5-6,9-10H,4,7-8H2,(H2,17,19,20)
InChIKeyCSGCDMVLAQPKKB-UHFFFAOYSA-N
XLogP2.20
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-[3-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine (CID 71580835) is 4-[3-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine is Nc1nccc(-n2cc(C3=CCOCC3)c3cnccc32)n1.
What is the InChIKey of 4-[3-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine?
The InChIKey is CSGCDMVLAQPKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c17-16-19-6-2-15(20-16)21-10-13(11-3-7-22-8-4-11)12-9-18-5-1-14(12)21/h1-3,5-6,9-10H,4,7-8H2,(H2,17,19,20).
What are the key properties of 4-[3-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine?
4-[3-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine has a molecular weight of 293.33 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 71580835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).