N'-[6-(3-aminocyclohexyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanimidamide

C14H22N6 — CID 143674544

IUPACN'-[6-(3-aminocyclohexyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanimidamide
SMILESC/C(N)=N/c1ncc2c(n1)CN(C1CCCC(N)C1)C2
InChIInChI=1S/C14H22N6/c1-9(15)18-14-17-6-10-7-20(8-13(10)19-14)12-4-2-3-11(16)5-12/h6,11-12H,2-5,7-8,16H2,1H3,(H2,15,17,18,19)
InChIKeyGCIMFWXSLKBZRG-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.07
Rot. Bonds2

About N'-[6-(3-aminocyclohexyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanimidamide

N'-[6-(3-aminocyclohexyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanimidamide (PubChem CID 143674544) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is N'-[6-(3-aminocyclohexyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[6-(3-aminocyclohexyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanimidamide
PubChem CID143674544
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC NameN'-[6-(3-aminocyclohexyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanimidamide
SMILESC/C(N)=N/c1ncc2c(n1)CN(C1CCCC(N)C1)C2
InChIInChI=1S/C14H22N6/c1-9(15)18-14-17-6-10-7-20(8-13(10)19-14)12-4-2-3-11(16)5-12/h6,11-12H,2-5,7-8,16H2,1H3,(H2,15,17,18,19)
InChIKeyGCIMFWXSLKBZRG-UHFFFAOYSA-N
XLogP1.07
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[6-(3-aminocyclohexyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanimidamide?
The IUPAC name of N'-[6-(3-aminocyclohexyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanimidamide (CID 143674544) is N'-[6-(3-aminocyclohexyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanimidamide.
What is the SMILES notation for N'-[6-(3-aminocyclohexyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanimidamide?
The canonical SMILES for N'-[6-(3-aminocyclohexyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanimidamide is C/C(N)=N/c1ncc2c(n1)CN(C1CCCC(N)C1)C2.
What is the InChIKey of N'-[6-(3-aminocyclohexyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanimidamide?
The InChIKey is GCIMFWXSLKBZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-9(15)18-14-17-6-10-7-20(8-13(10)19-14)12-4-2-3-11(16)5-12/h6,11-12H,2-5,7-8,16H2,1H3,(H2,15,17,18,19).
What are the key properties of N'-[6-(3-aminocyclohexyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanimidamide?
N'-[6-(3-aminocyclohexyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanimidamide has a molecular weight of 274.37 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(3-aminocyclohexyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanimidamide is sourced from PubChem (CID 143674544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).