4-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidine

C12H15N3O — CID 22484549

IUPAC4-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1nc(OC2CCCCC2)c2cc[nH]c2n1
InChIInChI=1S/C12H15N3O/c1-2-4-9(5-3-1)16-12-10-6-7-13-11(10)14-8-15-12/h6-9H,1-5H2,(H,13,14,15)
InChIKeyNSUSWVBAKBSLBP-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.67
Rot. Bonds2

About 4-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidine

4-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 22484549) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID22484549
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1nc(OC2CCCCC2)c2cc[nH]c2n1
InChIInChI=1S/C12H15N3O/c1-2-4-9(5-3-1)16-12-10-6-7-13-11(10)14-8-15-12/h6-9H,1-5H2,(H,13,14,15)
InChIKeyNSUSWVBAKBSLBP-UHFFFAOYSA-N
XLogP2.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidine (CID 22484549) is 4-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidine is c1nc(OC2CCCCC2)c2cc[nH]c2n1.
What is the InChIKey of 4-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is NSUSWVBAKBSLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-4-9(5-3-1)16-12-10-6-7-13-11(10)14-8-15-12/h6-9H,1-5H2,(H,13,14,15).
What are the key properties of 4-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidine?
4-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 217.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 22484549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).