5-ethyl-4-(3-propan-2-ylazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

C14H20N4 — CID 167944927

IUPAC5-ethyl-4-(3-propan-2-ylazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1c[nH]c2ncnc(N3CC(C(C)C)C3)c12
InChIInChI=1S/C14H20N4/c1-4-10-5-15-13-12(10)14(17-8-16-13)18-6-11(7-18)9(2)3/h5,8-9,11H,4,6-7H2,1-3H3,(H,15,16,17)
InChIKeyAFPLNUSANMOUTF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.61
Rot. Bonds3

About 5-ethyl-4-(3-propan-2-ylazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

5-ethyl-4-(3-propan-2-ylazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 167944927) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-ethyl-4-(3-propan-2-ylazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-ethyl-4-(3-propan-2-ylazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID167944927
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name5-ethyl-4-(3-propan-2-ylazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1c[nH]c2ncnc(N3CC(C(C)C)C3)c12
InChIInChI=1S/C14H20N4/c1-4-10-5-15-13-12(10)14(17-8-16-13)18-6-11(7-18)9(2)3/h5,8-9,11H,4,6-7H2,1-3H3,(H,15,16,17)
InChIKeyAFPLNUSANMOUTF-UHFFFAOYSA-N
XLogP2.61
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(3-propan-2-ylazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-ethyl-4-(3-propan-2-ylazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 167944927) is 5-ethyl-4-(3-propan-2-ylazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-ethyl-4-(3-propan-2-ylazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-ethyl-4-(3-propan-2-ylazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is CCc1c[nH]c2ncnc(N3CC(C(C)C)C3)c12.
What is the InChIKey of 5-ethyl-4-(3-propan-2-ylazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is AFPLNUSANMOUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-10-5-15-13-12(10)14(17-8-16-13)18-6-11(7-18)9(2)3/h5,8-9,11H,4,6-7H2,1-3H3,(H,15,16,17).
What are the key properties of 5-ethyl-4-(3-propan-2-ylazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
5-ethyl-4-(3-propan-2-ylazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 244.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(3-propan-2-ylazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 167944927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).