4-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine

C11H11N5 — CID 5022945

IUPAC4-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESNc1nc2c(c(-c3ccncc3)n1)CCN2
InChIInChI=1S/C11H11N5/c12-11-15-9(7-1-4-13-5-2-7)8-3-6-14-10(8)16-11/h1-2,4-5H,3,6H2,(H3,12,14,15,16)
InChIKeyLHRSWXVCLGJNCX-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.09
Rot. Bonds1

About 4-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine

4-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 5022945) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID5022945
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name4-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESNc1nc2c(c(-c3ccncc3)n1)CCN2
InChIInChI=1S/C11H11N5/c12-11-15-9(7-1-4-13-5-2-7)8-3-6-14-10(8)16-11/h1-2,4-5H,3,6H2,(H3,12,14,15,16)
InChIKeyLHRSWXVCLGJNCX-UHFFFAOYSA-N
XLogP1.09
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 5022945) is 4-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine is Nc1nc2c(c(-c3ccncc3)n1)CCN2.
What is the InChIKey of 4-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is LHRSWXVCLGJNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c12-11-15-9(7-1-4-13-5-2-7)8-3-6-14-10(8)16-11/h1-2,4-5H,3,6H2,(H3,12,14,15,16).
What are the key properties of 4-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 213.24 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 5022945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).