6-(3-aminocyclobutyl)-4-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine

C16H23N7O — CID 91760519

IUPAC6-(3-aminocyclobutyl)-4-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESNc1nc(NCc2noc(C3CCCC3)n2)cc(C2CC(N)C2)n1
InChIInChI=1S/C16H23N7O/c17-11-5-10(6-11)12-7-13(22-16(18)20-12)19-8-14-21-15(24-23-14)9-3-1-2-4-9/h7,9-11H,1-6,8,17H2,(H3,18,19,20,22)
InChIKeyTVTGWTRCVSHITR-UHFFFAOYSA-N
MW329.41 g/mol
LogP1.92
Rot. Bonds5

About 6-(3-aminocyclobutyl)-4-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine

6-(3-aminocyclobutyl)-4-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 91760519) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-4-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID91760519
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name6-(3-aminocyclobutyl)-4-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESNc1nc(NCc2noc(C3CCCC3)n2)cc(C2CC(N)C2)n1
InChIInChI=1S/C16H23N7O/c17-11-5-10(6-11)12-7-13(22-16(18)20-12)19-8-14-21-15(24-23-14)9-3-1-2-4-9/h7,9-11H,1-6,8,17H2,(H3,18,19,20,22)
InChIKeyTVTGWTRCVSHITR-UHFFFAOYSA-N
XLogP1.92
TPSA128.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(3-aminocyclobutyl)-4-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine (CID 91760519) is 6-(3-aminocyclobutyl)-4-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine is Nc1nc(NCc2noc(C3CCCC3)n2)cc(C2CC(N)C2)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is TVTGWTRCVSHITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c17-11-5-10(6-11)12-7-13(22-16(18)20-12)19-8-14-21-15(24-23-14)9-3-1-2-4-9/h7,9-11H,1-6,8,17H2,(H3,18,19,20,22).
What are the key properties of 6-(3-aminocyclobutyl)-4-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine?
6-(3-aminocyclobutyl)-4-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 329.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-4-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 91760519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).